UCSF

ZINC37859164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 21 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) 1.55 2.92 -41.94 3 6 1 83 336.503 9
Mid Mid (pH 6-8) 2.00 0.5 -54.22 2 6 0 87 335.495 9

Activity (Go SEA)

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