UCSF

ZINC40174183

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 22 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) 5.48 10.54 -53.95 0 3 -1 53 361.259 2
Lo Low (pH 4.5-6) 5.48 10.91 -53.05 1 3 0 54 362.267 2

Activity (Go SEA)

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