UCSF

ZINC34981280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 2.79 6.68 -8.77 1 4 0 51 277.295 7
Lo Low (pH 4.5-6) 2.79 8.04 -57.67 2 4 1 56 278.303 7

Activity (Go SEA)

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