UCSF

ZINC37095214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 Yes

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) 1.38 2.68 -35.74 2 2 1 20 145.27 6
Hi High (pH 8-9.5) 1.38 1.24 -0.91 1 2 0 15 144.262 6
Mid Mid (pH 6-8) 1.38 4.8 -104.55 3 2 2 21 146.278 6
Mid Mid (pH 6-8) 1.38 3.35 -30.13 2 2 1 16 145.27 6

Activity (Go SEA)

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