UCSF

ZINC38094295

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2009 14 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) 1.34 1.65 -37.54 3 3 1 46 200.302 3
Hi High (pH 8-9.5) 1.34 0.46 -3.21 2 3 0 41 199.294 3

Activity (Go SEA)

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