UCSF

ZINC28820151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 3.55 7.81 -52.29 3 3 1 42 279.363 3
Mid Mid (pH 6-8) 3.55 6.42 -10.47 2 3 0 37 278.355 3

Activity (Go SEA)

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