UCSF

ZINC37787451

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 3.93 7.96 -4.47 1 3 0 30 249.402 3
Mid Mid (pH 6-8) 3.93 8.1 -23.5 2 3 1 31 250.41 3

Activity (Go SEA)

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