UCSF

ZINC12448210

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 29 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) 1.56 6.72 -20.36 1 7 0 81 395.459 6
Lo Low (pH 4.5-6) 1.56 7 -53.58 2 7 1 82 396.467 6

Activity (Go SEA)

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