UCSF

ZINC06510831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 26 Yes

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) 3.80 -0.53 -14.98 1 7 0 98 377.418 8
Hi High (pH 8-9.5) 3.80 0 -43.79 0 7 -1 100 376.41 8

Activity (Go SEA)

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