UCSF

ZINC09560363

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 38 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) 3.59 -0.83 -22.59 1 7 0 80 507.59 6
Lo Low (pH 4.5-6) 3.59 -0.74 -49.74 2 7 1 82 508.598 6

Activity (Go SEA)

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