UCSF

ZINC36190571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 2.99 10.18 -94.07 3 3 2 24 277.456 6
Mid Mid (pH 6-8) 2.99 8 -35.97 2 3 1 23 276.448 6

Activity (Go SEA)

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