UCSF

ZINC42820865

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.53 3.79 -9.82 2 5 0 67 273.336 4
Mid Mid (pH 6-8) 1.53 5.13 -51.42 3 5 1 72 274.344 4
Mid Mid (pH 6-8) 1.99 2.57 -47.38 2 5 0 75 273.336 4

Activity (Go SEA)

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