UCSF

ZINC34988861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.17 7.25 -42.02 1 3 1 25 283.342 4
Mid Mid (pH 6-8) 2.17 7.1 -41.54 1 3 1 25 283.342 4
Lo Low (pH 4.5-6) 2.17 9.5 -109.72 2 3 2 26 284.35 4

Activity (Go SEA)

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