UCSF

ZINC41160889

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 18 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) 0.82 4.32 -127.98 5 4 2 61 253.321 6
Mid Mid (pH 6-8) 0.82 2.18 -46.54 4 4 1 60 252.313 6
Mid Mid (pH 6-8) 0.82 3.92 -39.14 4 4 1 60 252.313 6

Activity (Go SEA)

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