UCSF

ZINC13017771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 26 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) 6.13 12.95 -11.2 0 3 0 27 383.278 5
Lo Low (pH 4.5-6) 6.13 13.66 -34.01 1 3 1 28 384.286 5

Activity (Go SEA)

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