UCSF

ZINC19889863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 2.98 10.36 -85.06 2 3 2 12 303.494 5
Hi High (pH 8-9.5) 2.98 7.91 -39.36 1 3 1 11 302.486 5
Lo Low (pH 4.5-6) 2.98 10.19 -105.51 2 3 2 12 303.494 5

Activity (Go SEA)

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