UCSF

ZINC04273204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 2.91 8.46 -15.6 0 4 0 46 362.252 3
Lo Low (pH 4.5-6) 2.91 8.74 -51.56 1 4 1 47 363.26 3

Activity (Go SEA)

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