UCSF

ZINC09263975

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 28 No

Popular Name: N-(4,5-dihydrothiazol-2-yl)-2-[[5-[(2-methoxyphenyl)carbamoylmethyl]-4-methyl-1,2,4-triazol-3-yl]sul N-(4,5-dihydrothiazol-2-yl)-2-[[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.88 4.7 -25.56 2 9 0 111 420.52 7 ↓
Mid Mid (pH 6-8) 0.88 5.83 -44.5 3 9 1 112 421.528 7 ↓
Mid Mid (pH 6-8) 1.06 2.51 -23.85 2 9 0 114 420.52 7 ↓
Mid Mid (pH 6-8) 0.88 5.04 -25.18 2 9 0 111 420.52 7 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )