UCSF

ZINC41654507

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 10 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) 1.95 4.64 -1.87 0 1 0 3 139.242 3
Mid Mid (pH 6-8) 1.95 6.42 -29.83 1 1 1 4 140.25 3

Activity (Go SEA)

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