UCSF

ZINC25782414

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 32 No

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) 0.94 3.16 -27.74 3 15 0 195 442.396 7
Mid Mid (pH 6-8) 0.94 5.48 -61.79 4 15 1 197 443.404 7

Activity (Go SEA)

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