UCSF

ZINC37085367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.39 5.85 -11.59 1 5 0 56 275.352 5
Mid Mid (pH 6-8) 2.39 6.99 -37.11 2 5 1 61 276.36 5
Mid Mid (pH 6-8) 2.39 6.56 -31.41 2 5 1 57 276.36 5
Lo Low (pH 4.5-6) 2.39 7.7 -101.86 3 5 2 62 277.368 5

Activity (Go SEA)

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