UCSF

ZINC40169624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 15 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) 0.59 4.81 -16.1 2 3 0 48 202.257 1

Activity (Go SEA)

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