UCSF

ZINC44259866

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.54 -0.86 -50.55 3 6 1 81 303.383 5
Mid Mid (pH 6-8) -0.54 1.35 -120.65 4 6 2 82 304.391 5

Activity (Go SEA)

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