UCSF

ZINC12436652

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 30 No

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) 6.18 11.63 -11.72 1 5 0 67 411.486 2
Mid Mid (pH 6-8) 6.63 8.42 -51.13 0 5 -1 70 410.478 2
Mid Mid (pH 6-8) 6.63 9.66 -50.94 0 5 -1 70 410.478 2

Activity (Go SEA)

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