UCSF

ZINC17138073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 33 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) 0.98 3.52 -57.62 1 10 -1 131 449.443 8
Ref Reference (pH 7) 0.98 3.34 -59.31 1 10 -1 131 449.443 8
Mid Mid (pH 6-8) 0.52 6.05 -18.33 2 10 0 128 450.451 8

Activity (Go SEA)

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