UCSF

ZINC02019987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 18 Yes

CAS Number: 87129-71-3

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) 1.73 -3.7 -48.72 4 4 1 66 254.35 7

Activity (Go SEA)

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