UCSF

ZINC37110662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.71 7.11 -50.16 3 3 1 44 244.362 4
Hi High (pH 8-9.5) 2.71 6.68 -5.86 2 3 0 42 243.354 4
Mid Mid (pH 6-8) 2.71 7.45 -98.52 4 3 2 45 245.37 4

Activity (Go SEA)

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