UCSF

ZINC37859180

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 1.95 2.32 -10.37 1 5 0 70 278.399 6
Mid Mid (pH 6-8) 2.41 0.1 -42.92 0 5 -1 73 277.391 6

Activity (Go SEA)

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