UCSF

ZINC37187102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) 2.57 5.17 -7.84 1 4 0 43 278.739 5
Lo Low (pH 4.5-6) 2.57 5.64 -36.98 2 4 1 45 279.747 5

Activity (Go SEA)

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