UCSF

ZINC26576446

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 22 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) 1.53 8.13 -281.07 8 4 4 66 316.578 15
Hi High (pH 8-9.5) 1.53 5.26 -93.36 6 4 2 57 314.562 15
Hi High (pH 8-9.5) 1.53 5.41 -88.6 6 4 2 57 314.562 15
Mid Mid (pH 6-8) 1.53 6.67 -168.42 7 4 3 62 315.57 15

Activity (Go SEA)

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