UCSF

ZINC23359180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 20 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) 3.00 9.01 -37.42 1 2 1 8 291.484 4
Hi High (pH 8-9.5) 3.00 6.76 -2.92 0 2 0 6 290.476 4
Mid Mid (pH 6-8) 3.00 9.18 -34.63 1 2 1 8 291.484 4
Lo Low (pH 4.5-6) 3.00 11.42 -111.71 2 2 2 9 292.492 4

Activity (Go SEA)

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