UCSF

ZINC44686895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 2.84 7.12 -39.77 2 2 1 20 245.39 4
Lo Low (pH 4.5-6) 2.84 9.46 -111.01 3 2 2 21 246.398 4
Lo Low (pH 4.5-6) 2.84 8.29 -31.29 2 2 1 16 245.39 4

Activity (Go SEA)

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