UCSF

ZINC37116431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.36 4.44 -108.77 3 3 2 34 181.283 5
Mid Mid (pH 6-8) 0.36 2.12 -39.11 2 3 1 33 180.275 5
Mid Mid (pH 6-8) 0.36 2.85 -82.47 3 3 2 34 181.283 5

Activity (Go SEA)

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