UCSF

ZINC00968382

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 13 Yes

CAS Numbers: 642-38-6 , CAS# 642-38-6

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) -1.99 -9.63 -9.19 5 6 0 110 194.183 1

Activity (Go SEA)

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