UCSF

ZINC37832339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.70 5.11 -62.16 2 6 -1 104 293.343 5
Lo Low (pH 4.5-6) 0.70 3.74 -14.18 3 6 0 101 294.351 5

Activity (Go SEA)

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