UCSF

ZINC06689070

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 27 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) 3.66 11.87 -11.24 0 5 0 51 389.858 7
Mid Mid (pH 6-8) 3.66 12.24 -30.98 1 5 1 53 390.866 7

Activity (Go SEA)

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