UCSF

ZINC36997746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 5.52 10.49 -3.77 1 1 0 12 308.252 5
Mid Mid (pH 6-8) 5.52 11.2 -39.61 2 1 1 17 309.26 5

Activity (Go SEA)

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