UCSF

ZINC39712250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 10 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) 1.12 3.68 -107.94 4 2 2 33 146.278 6
Mid Mid (pH 6-8) 1.12 2.31 -32.99 3 2 1 29 145.27 6
Mid Mid (pH 6-8) 1.12 2.65 -34.67 3 2 1 29 145.27 6

Activity (Go SEA)

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