UCSF

ZINC39515562

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 25 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) 4.79 13.67 -112.13 2 3 2 18 346.559 8
Hi High (pH 8-9.5) 4.79 11.85 -38.86 1 3 1 17 345.551 8
Mid Mid (pH 6-8) 4.79 11.44 -38.05 1 3 1 17 345.551 8

Activity (Go SEA)

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