UCSF

ZINC69184471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 21 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) 2.18 3.34 -10.15 2 6 0 84 311.407 8
Mid Mid (pH 6-8) 2.64 1.84 -52.59 1 6 -1 87 310.399 8
Mid Mid (pH 6-8) 2.18 5.34 -44.41 3 6 1 89 312.415 8
Mid Mid (pH 6-8) 2.64 3.24 -54.89 2 6 0 92 311.407 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.