UCSF

ZINC14968457

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 26 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) 0.99 3.91 -17.32 2 8 0 96 357.414 8
Mid Mid (pH 6-8) 0.99 4.41 -38.58 3 8 1 98 358.422 8

Activity (Go SEA)

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