UCSF

ZINC34364883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 28 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) 0.87 6 -49.5 4 8 1 104 388.492 6
Hi High (pH 8-9.5) 0.87 5.18 -10.69 3 8 0 103 387.484 6
Mid Mid (pH 6-8) 0.87 5.94 -84.4 5 8 2 105 389.5 6
Lo Low (pH 4.5-6) 0.87 5.94 -88.41 5 8 2 105 389.5 6

Activity (Go SEA)

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