UCSF

ZINC59143014

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 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) 1.92 4.65 -78.19 4 3 2 33 229.412 4
Hi High (pH 8-9.5) 1.92 2.18 -31.52 3 3 1 32 228.404 4
Mid Mid (pH 6-8) 1.92 3.38 -98.71 4 3 2 36 229.412 4
Mid Mid (pH 6-8) 1.92 5.86 -189.38 5 3 3 38 230.42 4

Activity (Go SEA)

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