UCSF

ZINC37051686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.19 5.79 -10.41 1 4 0 39 293.317 4
Lo Low (pH 4.5-6) 3.19 6.21 -35.14 2 4 1 40 294.325 4

Activity (Go SEA)

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