UCSF

ZINC19919602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.02 6.3 -33.83 2 2 1 20 259.776 7
Hi High (pH 8-9.5) 3.02 4.87 -2.8 1 2 0 15 258.768 7
Mid Mid (pH 6-8) 3.02 7.12 -31.32 2 2 1 16 259.776 7
Mid Mid (pH 6-8) 3.02 8.31 -104.21 3 2 2 21 260.784 7

Activity (Go SEA)

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