UCSF

ZINC19432673

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) -1.39 -1.06 -103.78 2 8 -2 138 267.241 5
Hi High (pH 8-9.5) -1.39 -1.89 -98.63 2 8 -2 138 267.241 5
Mid Mid (pH 6-8) -1.84 0.03 -53.38 3 8 -1 135 268.249 5

Activity (Go SEA)

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