UCSF

ZINC37002589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 1.05 6.35 -52.11 4 5 1 75 273.36 6
Hi High (pH 8-9.5) 1.05 6.06 -12.08 3 5 0 73 272.352 6
Mid Mid (pH 6-8) 1.05 6.87 -93.41 5 5 2 76 274.368 6

Activity (Go SEA)

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