UCSF

ZINC20424299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 19 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) 2.55 4.56 -9.74 2 4 0 50 259.353 3
Lo Low (pH 4.5-6) 2.55 4.66 -31.36 3 4 1 51 260.361 3

Activity (Go SEA)

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