UCSF

ZINC01686186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

CAS Number: 73816-46-3

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 3.2 -8.8 1 3 0 50 175.187 0

Activity (Go SEA)

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