UCSF

ZINC34824993

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 21 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) 3.67 10.04 -42.6 2 3 1 33 286.443 6
Mid Mid (pH 6-8) 3.67 10.94 -91.95 3 3 2 34 287.451 6

Activity (Go SEA)

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