UCSF

ZINC28472784

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 15 Yes

CAS Number: 15687-27-1

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) 4.02 8.05 -47.63 0 2 -1 40 205.277 4

Activity (Go SEA)

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