UCSF

ZINC37780036

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.60 7.89 -5.21 1 3 0 34 270.376 6
Lo Low (pH 4.5-6) 3.60 8.35 -34.96 2 3 1 35 271.384 6

Activity (Go SEA)

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