UCSF

ZINC05393270

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 24 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) 3.42 9.15 -93.26 3 4 2 43 322.456 7
Lo Low (pH 4.5-6) 3.42 9.43 -168.04 4 4 3 45 323.464 7

Activity (Go SEA)

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