UCSF

ZINC37859690

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 0.00 3.86 -112.82 4 4 2 54 237.347 6
Mid Mid (pH 6-8) 0.00 4.36 -46.52 3 4 1 57 236.339 6

Activity (Go SEA)

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