UCSF

ZINC22912280

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 1.78 5.4 -45.99 3 6 1 66 331.44 6
Hi High (pH 8-9.5) 1.78 5.42 -48.38 3 6 1 66 331.44 6
Hi High (pH 8-9.5) 1.78 3.18 -18.35 2 6 0 65 330.432 6

Activity (Go SEA)

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