UCSF

ZINC24992400

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 36 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) 3.65 12.5 -18.48 0 6 0 54 497.565 5
Mid Mid (pH 6-8) 3.65 14.78 -60.83 1 6 1 55 498.573 5

Activity (Go SEA)

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