UCSF

ZINC42579861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 21 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) 3.15 6.47 -132.47 4 4 2 51 359.308 6
Hi High (pH 8-9.5) 3.15 6.33 -34.05 3 4 1 49 358.3 6
Mid Mid (pH 6-8) 3.15 5.51 -52.84 3 4 1 49 358.3 6

Activity (Go SEA)

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