UCSF

ZINC45699744

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 0.22 2.37 -97.26 4 5 2 54 289.464 10
Hi High (pH 8-9.5) 0.22 0.96 -34.5 3 5 1 49 288.456 10
Mid Mid (pH 6-8) 0.22 4.68 -172.84 5 5 3 55 290.472 10

Activity (Go SEA)

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