UCSF

ZINC36787026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 1.90 4.06 -38.05 3 2 1 31 199.362 5
Mid Mid (pH 6-8) 1.90 4.86 -24.85 3 2 1 30 199.362 5
Mid Mid (pH 6-8) 1.90 5.36 -101.66 4 2 2 32 200.37 5

Activity (Go SEA)

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