UCSF

ZINC22464787

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 29 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) 4.51 11.2 -46.11 2 4 1 37 383.519 4
Hi High (pH 8-9.5) 4.51 9.78 -10.72 1 4 0 33 382.511 4
Mid Mid (pH 6-8) 4.51 11.6 -84.33 3 4 2 38 384.527 4

Activity (Go SEA)

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