UCSF

ZINC37051639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.28 6.5 -105.24 3 4 2 39 238.379 5
Mid Mid (pH 6-8) 0.28 5.12 -37.44 2 4 1 34 237.371 5
Mid Mid (pH 6-8) 0.28 4.02 -41.13 2 4 1 38 237.371 5

Activity (Go SEA)

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