UCSF

ZINC00001232

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 19 Yes

CAS Number: 127759-89-1

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) -1.26 -0.92 -19.91 5 8 0 130 265.273 3

Activity (Go SEA)

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