UCSF

ZINC37856589

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.74 3.8 -7.2 2 3 0 45 260.312 5
Lo Low (pH 4.5-6) 1.74 4.25 -35.38 3 3 1 46 261.32 5

Activity (Go SEA)

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