UCSF

ZINC34580896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 4.05 14.56 -38.47 2 4 1 33 422.568 4
Hi High (pH 8-9.5) 4.05 12.73 -6.73 1 4 0 32 421.56 4

Activity (Go SEA)

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