UCSF

ZINC44114451

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.69 7.31 -32.68 2 3 1 28 289.443 3
Mid Mid (pH 6-8) 2.69 5.02 -3.41 1 3 0 27 288.435 3
Lo Low (pH 4.5-6) 2.69 6.77 -31.01 2 3 1 28 289.443 3

Activity (Go SEA)

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