UCSF

ZINC34561951

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 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) 1.01 2.96 -8.98 2 4 0 65 180.207 4
Lo Low (pH 4.5-6) 1.01 3.38 -32.04 3 4 1 66 181.215 4

Activity (Go SEA)

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