UCSF

ZINC19581709

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 24 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) 1.90 8.92 -22.84 2 6 0 76 337.408 4
Hi High (pH 8-9.5) 2.08 7.85 -45.52 1 6 -1 82 336.4 4
Mid Mid (pH 6-8) 1.90 9.4 -49.1 3 6 1 77 338.416 4

Activity (Go SEA)

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