UCSF

ZINC71029527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2011 21 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) 3.92 9.46 -4.82 2 4 0 56 288.391 8
Mid Mid (pH 6-8) 3.92 9.74 -24.52 3 4 0 57 289.399 8

Activity (Go SEA)

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