UCSF

ZINC08791753

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 38 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) 3.67 -2.84 -16.39 3 8 0 107 510.594 7

Activity (Go SEA)

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