UCSF

ZINC57353674

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 19 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) 1.63 4.9 -51.18 2 6 -1 97 271.178 3

Activity (Go SEA)

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