UCSF

ZINC34601480

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 8.19 16.51 -8.68 1 5 0 51 513.037 8
Mid Mid (pH 6-8) 8.19 16.61 -62.88 2 5 0 52 514.045 8

Activity (Go SEA)

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