UCSF

ZINC34678945

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 37 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) 1.93 11.1 -20.11 1 9 0 100 502.619 10
Lo Low (pH 4.5-6) 1.93 11.57 -61.79 2 9 1 102 503.627 10

Activity (Go SEA)

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