UCSF

ZINC17779390

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 24 No

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) 3.39 9.69 -16.42 0 6 0 65 319.368 4
Mid Mid (pH 6-8) 3.39 10.69 -31.1 2 6 1 70 320.376 4
Mid Mid (pH 6-8) 3.39 10 -40.02 1 6 1 67 320.376 4

Activity (Go SEA)

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