UCSF

ZINC37862527

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 16 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) 1.60 2.13 -6.49 2 2 0 32 237.196 5
Mid Mid (pH 6-8) 1.60 3.46 -44.26 3 2 1 37 238.204 5

Activity (Go SEA)

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