UCSF

ZINC34536710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 4.99 13.05 -15.66 0 5 0 49 367.456 4
Lo Low (pH 4.5-6) 4.99 13.47 -31.95 1 5 1 50 368.464 4
Lo Low (pH 4.5-6) 4.99 14.24 -71.17 2 5 2 51 369.472 4

Activity (Go SEA)

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