UCSF

ZINC48962418

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.62 7.57 -35.98 2 4 1 42 273.335 3
Mid Mid (pH 6-8) 2.62 7.24 -9.42 1 4 0 41 272.327 3
Lo Low (pH 4.5-6) 2.62 8.04 -74.04 3 4 2 44 274.343 3

Activity (Go SEA)

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