UCSF

ZINC34824289

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 0.96 7 -38.96 2 5 1 51 274.392 6
Hi High (pH 8-9.5) 0.96 5.55 -7.26 1 5 0 46 273.384 6
Mid Mid (pH 6-8) 0.96 7.13 -93.47 3 5 2 52 275.4 6
Lo Low (pH 4.5-6) 0.96 7.49 -165.67 4 5 3 53 276.408 6

Activity (Go SEA)

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