UCSF

ZINC34958723

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 16 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) 2.22 4.89 -49.31 3 2 1 31 260.188 3
Mid Mid (pH 6-8) 2.22 6.22 -34.5 3 2 1 30 260.188 3

Activity (Go SEA)

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