UCSF

ZINC44687620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.69 10.03 -32.12 2 2 1 16 273.444 6
Hi High (pH 8-9.5) 3.69 7.69 -2.05 1 2 0 15 272.436 6
Lo Low (pH 4.5-6) 3.69 8.54 -40.93 2 2 1 20 273.444 6
Lo Low (pH 4.5-6) 3.69 10.88 -112.84 3 2 2 21 274.452 6

Activity (Go SEA)

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