UCSF

ZINC44686824

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 4.08 10.11 -31.16 2 2 1 16 285.455 4
Lo Low (pH 4.5-6) 4.08 10.99 -105.57 3 2 2 21 286.463 4
Lo Low (pH 4.5-6) 4.08 8.65 -35.28 2 2 1 20 285.455 4

Activity (Go SEA)

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