UCSF

ZINC56871264

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 31 Yes

CAS Number: 15291-76-6

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) -3.29 -1.49 -26.24 4 11 0 169 440.401 1
Hi High (pH 8-9.5) -3.29 1.43 -29.04 3 11 0 172 439.393 1

Activity (Go SEA)

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