UCSF

ZINC36777235

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 0.10 3.95 -117.15 4 4 2 48 262.401 4
Hi High (pH 8-9.5) 0.10 1.53 -46.99 3 4 1 47 261.393 4
Hi High (pH 8-9.5) 0.10 3.89 -39.64 3 4 1 47 261.393 4
Mid Mid (pH 6-8) 0.10 4.17 -195.52 5 4 3 49 263.409 4

Activity (Go SEA)

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