UCSF

ZINC29234745

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 16 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) 2.31 5.4 -8.83 0 3 0 31 215.252 3
Lo Low (pH 4.5-6) 2.31 5.85 -41.58 1 3 1 33 216.26 3

Activity (Go SEA)

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