UCSF

ZINC34536950

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 4.33 9.8 -49 0 4 -1 59 327.4 6
Lo Low (pH 4.5-6) 4.33 7.82 -9.73 1 4 0 56 328.408 6

Activity (Go SEA)

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