UCSF

ZINC44649080

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.81 1.69 -49.62 5 6 1 98 280.348 9
Hi High (pH 8-9.5) 0.81 0.34 -13.11 4 6 0 93 279.34 9

Activity (Go SEA)

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