UCSF

ZINC37877053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 2.31 1.13 -4.93 2 4 0 45 305.205 5
Mid Mid (pH 6-8) 2.31 3.44 -42.46 3 4 1 46 306.213 5

Activity (Go SEA)

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