UCSF

ZINC34611295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 16 No

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) 3.04 6.68 -4.72 1 2 0 29 237.73 2
Lo Low (pH 4.5-6) 3.04 7.01 -40.86 2 2 1 34 238.738 2

Activity (Go SEA)

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