UCSF

ZINC59602881

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 1.78 3.88 -165.16 7 4 3 62 287.516 8
Hi High (pH 8-9.5) 1.78 2.91 -92.6 6 4 2 57 286.508 8
Hi High (pH 8-9.5) 1.78 2.7 -75.1 6 4 2 57 286.508 8
Lo Low (pH 4.5-6) 1.78 5.22 -309.03 8 4 4 66 288.524 8

Activity (Go SEA)

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