UCSF

ZINC37859386

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 15 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) -0.12 -2.75 -10.83 2 6 0 88 252.317 5
Mid Mid (pH 6-8) 0.34 -5.05 -42.52 1 6 -1 91 251.309 5

Activity (Go SEA)

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