UCSF

ZINC43247466

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.54 1.57 -48.8 4 3 1 51 269.434 5
Hi High (pH 8-9.5) 1.54 1.29 -4.62 3 3 0 49 268.426 5
Mid Mid (pH 6-8) 1.54 3.42 -27.09 4 3 1 51 269.434 5
Lo Low (pH 4.5-6) 1.54 3.47 -118.34 5 3 2 52 270.442 5

Activity (Go SEA)

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