UCSF

ZINC34943997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 No

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) 4.32 12.8 -71.82 1 5 0 65 504.368 6
Lo Low (pH 4.5-6) 4.32 11.91 -49.36 2 5 1 62 505.376 6

Activity (Go SEA)

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