UCSF

ZINC37860170

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) 2.77 8.11 -109.07 4 3 2 41 292.467 8
Hi High (pH 8-9.5) 2.77 6.73 -35.19 3 3 1 37 291.459 8
Mid Mid (pH 6-8) 2.77 5.82 -42.05 3 3 1 40 291.459 8

Activity (Go SEA)

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