UCSF

ZINC20043082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 14 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) 0.97 5.88 -77.1 3 3 2 21 203.374 7
Hi High (pH 8-9.5) 0.97 3.37 -32.4 2 3 1 20 202.366 7
Mid Mid (pH 6-8) 0.97 4.55 -95.9 3 3 2 24 203.374 7
Lo Low (pH 4.5-6) 0.97 7.09 -182.07 4 3 3 25 204.382 7

Activity (Go SEA)

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