UCSF

ZINC44722510

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.93 3.98 -36.29 3 4 1 46 240.371 6
Lo Low (pH 4.5-6) 0.93 5.06 -102.84 4 4 2 50 241.379 6
Lo Low (pH 4.5-6) 0.93 2.72 -38.13 3 4 1 49 240.371 6

Activity (Go SEA)

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