UCSF

ZINC20361439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) 0.37 3.96 -33.88 1 4 1 34 187.263 3
Hi High (pH 8-9.5) 0.37 1.4 -5.05 0 4 0 33 186.255 3
Mid Mid (pH 6-8) 0.37 5.97 -109.45 2 4 2 35 188.271 3
Lo Low (pH 4.5-6) 0.37 3.69 -34.84 1 4 1 34 187.263 3

Activity (Go SEA)

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