UCSF

ZINC44688067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 0.14 -2.33 -10.84 3 6 0 91 280.371 8
Lo Low (pH 4.5-6) 0.14 -2.48 -53.97 4 6 1 92 281.379 8

Activity (Go SEA)

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