UCSF

ZINC56955990

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2011 26 No

CAS Number: 154229-19-3

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) 4.42 9.51 -5.02 1 2 0 33 349.518 1
Lo Low (pH 4.5-6) 4.42 9.88 -34.5 2 2 1 34 350.526 1

Activity (Go SEA)

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