UCSF

ZINC40953660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 14 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) 2.12 5.66 -47.93 1 3 -1 60 197.254 7
Lo Low (pH 4.5-6) 2.12 3.68 -10.17 2 3 0 58 198.262 7

Activity (Go SEA)

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