UCSF

ZINC34146654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 16 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) 2.59 8.43 -50.52 0 4 -1 66 229.296 7
Lo Low (pH 4.5-6) 2.59 6.34 -7.01 1 4 0 64 230.304 7

Activity (Go SEA)

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