UCSF

ZINC28386715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 27 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) -0.12 6.72 -99.34 3 6 0 93 377.391 4
Mid Mid (pH 6-8) -2.87 5.76 -74.68 4 6 1 96 378.399 3

Activity (Go SEA)

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