UCSF

ZINC23282563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 3.88 8.08 -40.1 1 3 1 11 322.904 4
Hi High (pH 8-9.5) 3.88 8.09 -36.63 1 3 1 11 322.904 4
Lo Low (pH 4.5-6) 3.88 11.49 -109.12 2 3 2 12 323.912 4

Activity (Go SEA)

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