UCSF

ZINC06403375

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 24 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) 2.53 1.66 -10 3 7 0 109 330.292 3
Hi High (pH 8-9.5) 2.53 2.39 -53.08 2 7 -1 112 329.284 3

Activity (Go SEA)

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