UCSF

ZINC34912502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.81 9.52 -23.66 3 3 1 45 252.341 1
Mid Mid (pH 6-8) 3.81 9.55 -9.52 2 3 0 43 251.333 1

Activity (Go SEA)

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