UCSF

ZINC20464735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 32 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) 3.59 8.08 -45.97 2 7 1 76 440.564 4
Mid Mid (pH 6-8) 3.59 7.96 -47.43 2 7 1 76 440.564 4
Mid Mid (pH 6-8) 3.59 5.62 -14.15 1 7 0 75 439.556 4

Activity (Go SEA)

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