UCSF

ZINC19855515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 3.17 9.7 -45.04 1 3 1 22 256.373 1
Mid Mid (pH 6-8) 3.17 7.5 -8.01 0 3 0 21 255.365 1
Mid Mid (pH 6-8) 3.17 7.88 -26.68 1 3 1 22 256.373 1
Lo Low (pH 4.5-6) 3.17 10.08 -103.83 2 3 2 24 257.381 1

Activity (Go SEA)

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