UCSF

ZINC04276996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 11 No

CAS Number: 20292-01-7

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) 2.94 1.62 -5.24 0 2 0 26 176.281 7
Hi High (pH 8-9.5) 2.94 0.66 -44.06 0 2 -1 26 175.273 7

Activity (Go SEA)

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