UCSF

ZINC34678953

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 1.12 6.97 -19.07 2 9 0 109 460.538 7
Lo Low (pH 4.5-6) 1.12 7.38 -48.84 3 9 1 110 461.546 7

Activity (Go SEA)

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