UCSF

ZINC22938952

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 5.02 10.91 -46.92 2 6 1 63 480.636 6
Mid Mid (pH 6-8) 5.02 10.8 -51.25 2 6 1 63 480.636 6
Mid Mid (pH 6-8) 5.02 8.54 -14.61 1 6 0 61 479.628 6

Activity (Go SEA)

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