UCSF

ZINC20190108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 3.72 6.74 -35.15 3 3 1 37 277.432 5
Hi High (pH 8-9.5) 3.72 5.82 -46.06 2 3 0 43 276.424 5
Mid Mid (pH 6-8) 3.72 5.03 -38.01 3 3 1 40 277.432 5

Activity (Go SEA)

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