UCSF

ZINC39712262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 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) 3.00 6.06 -114 4 2 2 33 200.37 6
Hi High (pH 8-9.5) 3.00 4.89 -33.8 3 2 1 29 199.362 6
Mid Mid (pH 6-8) 3.00 5.02 -35.91 3 2 1 29 199.362 6

Activity (Go SEA)

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