UCSF

ZINC43704718

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) 2.63 9.74 -51.49 1 4 0 54 293.407 4
Mid Mid (pH 6-8) 2.63 7.47 -46.31 0 4 -1 53 292.399 4

Activity (Go SEA)

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