UCSF

ZINC41298527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 1.41 6.49 -46.61 2 5 1 52 293.387 6
Mid Mid (pH 6-8) 1.41 4.53 -12.41 1 5 0 51 292.379 6

Activity (Go SEA)

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