UCSF

ZINC01303828

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 25 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) 3.19 10.32 -17.9 0 6 0 62 334.379 4
Mid Mid (pH 6-8) 3.19 11.68 -48.56 2 6 1 66 335.387 4
Mid Mid (pH 6-8) 3.19 10.64 -36.83 1 6 1 63 335.387 4

Activity (Go SEA)

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