UCSF

ZINC42459932

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.68 4.98 -38.35 2 5 1 47 241.359 7
Hi High (pH 8-9.5) 0.68 3.58 -4.71 1 5 0 42 240.351 7
Lo Low (pH 4.5-6) 0.68 5.11 -91.57 3 5 2 48 242.367 7

Activity (Go SEA)

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