UCSF

ZINC40764495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 18 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) 1.04 -1.16 -10.25 2 5 0 78 293.772 6

Activity (Go SEA)

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