UCSF

ZINC01566183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 19 Yes

CAS Number: 42408-78-6

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) 2.95 1.51 -38.49 1 2 1 13 258.385 3

Activity (Go SEA)

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