UCSF

ZINC37322337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 No

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) 2.03 6.67 -35.53 2 3 1 30 267.418 5
Lo Low (pH 4.5-6) 2.03 5.34 -41.64 2 3 1 33 267.418 5
Lo Low (pH 4.5-6) 2.03 7.85 -110.12 3 3 2 34 268.426 5

Activity (Go SEA)

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