UCSF

ZINC19889600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.30 6.99 -37.86 1 3 1 21 260.405 3
Hi High (pH 8-9.5) 2.30 4.71 -3.65 0 3 0 19 259.397 3
Mid Mid (pH 6-8) 2.30 7.05 -38.49 1 3 1 21 260.405 3
Lo Low (pH 4.5-6) 2.30 7.44 -83.61 2 3 2 22 261.413 3

Activity (Go SEA)

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