UCSF

ZINC36882446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.58 8.73 -112.2 3 2 2 21 220.36 6
Mid Mid (pH 6-8) 2.58 6.9 -32.45 2 2 1 20 219.352 6
Mid Mid (pH 6-8) 2.58 7.65 -34.79 2 2 1 16 219.352 6

Activity (Go SEA)

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