UCSF

ZINC06696803

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 23 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) 3.15 11.55 -7.11 0 4 0 38 313.445 7
Mid Mid (pH 6-8) 3.15 11.89 -29.22 1 4 1 39 314.453 7

Activity (Go SEA)

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