UCSF

ZINC36990303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 1.33 2.01 -37.88 3 4 1 49 228.36 5
Mid Mid (pH 6-8) 1.33 4.18 -101.84 4 4 2 50 229.368 5

Activity (Go SEA)

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