UCSF

ZINC05587610

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 25 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) 2.18 6.44 -19.12 2 6 0 95 354.435 5
Lo Low (pH 4.5-6) 2.18 6.67 -53.28 3 6 1 96 355.443 5

Activity (Go SEA)

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