UCSF

ZINC35258584

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.42 7.66 -128.2 3 4 2 41 283.46 5
Mid Mid (pH 6-8) 1.42 5.14 -46.32 2 4 1 40 282.452 5
Mid Mid (pH 6-8) 1.42 7.38 -36.97 2 4 1 37 282.452 5

Activity (Go SEA)

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