UCSF

ZINC23361115

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 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) 1.07 3.18 -85.99 4 7 2 72 383.533 12
Mid Mid (pH 6-8) 1.07 0.81 -41.67 3 7 1 71 382.525 12

Activity (Go SEA)

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