UCSF

ZINC37115422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.30 7.94 -64 2 4 0 57 260.337 3
Lo Low (pH 4.5-6) 3.30 5.94 -35.94 3 4 1 54 261.345 3

Activity (Go SEA)

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