UCSF

ZINC60375549

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2011 27 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) 0.59 3.53 -16.58 2 9 0 108 379.461 8
Lo Low (pH 4.5-6) 0.59 5.68 -58.86 3 9 1 109 380.469 8

Activity (Go SEA)

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