UCSF

ZINC37387314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.47 3.61 -3.99 1 3 0 24 310.266 5
Mid Mid (pH 6-8) 2.47 5.88 -42.59 2 3 1 26 311.274 5

Activity (Go SEA)

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