UCSF

ZINC35337856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 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) 1.07 3.83 -47.37 3 4 1 59 214.314 5
Hi High (pH 8-9.5) 1.63 1.73 -8.25 2 4 0 57 213.306 4
Mid Mid (pH 6-8) 0.89 2.59 -39.79 2 4 0 65 213.306 5

Activity (Go SEA)

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