UCSF

ZINC37855894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) 0.57 1.2 -43.45 4 3 1 60 183.206 3
Mid Mid (pH 6-8) 0.57 -0 -9.56 3 3 0 55 182.198 3

Activity (Go SEA)

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