UCSF

ZINC55162001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 28 Yes

CAS Number: 145038-50-2

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) 3.13 11.25 -122.96 1 7 -2 119 381.384 8

Activity (Go SEA)

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