UCSF

ZINC37877400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 1.50 6.06 -105.09 4 4 2 51 286.46 10
Mid Mid (pH 6-8) 1.50 3.95 -42.2 3 4 1 49 285.452 10

Activity (Go SEA)

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