UCSF

ZINC02590605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 24 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) 3.69 9.72 -15.79 0 6 0 65 339.786 3
Mid Mid (pH 6-8) 3.69 10.28 -34.58 2 6 1 70 340.794 3
Mid Mid (pH 6-8) 3.69 10.04 -46.01 1 6 1 67 340.794 3

Activity (Go SEA)

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