UCSF

ZINC19361715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 18 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) 3.65 8.33 -33.9 1 2 1 8 312.275 4
Mid Mid (pH 6-8) 3.65 8.65 -39.01 1 2 1 8 312.275 4
Mid Mid (pH 6-8) 3.65 6.33 -1.79 0 2 0 6 311.267 4

Activity (Go SEA)

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