UCSF

ZINC44684791

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 3.88 8.66 -38.18 2 2 1 20 273.444 6
Lo Low (pH 4.5-6) 3.88 10.99 -106.97 3 2 2 21 274.452 6
Lo Low (pH 4.5-6) 3.88 9.95 -31.48 2 2 1 16 273.444 6

Activity (Go SEA)

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