UCSF

ZINC33724511

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 4.16 11.54 -16.45 0 5 0 57 421.5 6
Lo Low (pH 4.5-6) 4.16 11.98 -36.16 1 5 1 58 422.508 6

Activity (Go SEA)

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