UCSF

ZINC38088709

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 11 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) 1.23 3.62 -32.6 2 2 1 20 159.297 5
Mid Mid (pH 6-8) 1.23 5.58 -108.2 3 2 2 21 160.305 5

Activity (Go SEA)

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