UCSF

ZINC34676465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.71 7.23 -10.38 0 4 0 27 319.424 3
Mid Mid (pH 6-8) 2.71 9.4 -46.09 1 4 1 28 320.432 3

Activity (Go SEA)

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