UCSF

ZINC37503416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 14 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) 1.30 1.6 -3.6 1 3 0 33 199.294 2
Mid Mid (pH 6-8) 1.30 3.68 -29.44 2 3 1 34 200.302 2

Activity (Go SEA)

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