UCSF

ZINC12577259

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 3.11 11.33 -21.37 1 9 0 104 438.513 5
Mid Mid (pH 6-8) 3.11 11.82 -59.76 2 9 1 105 439.521 5

Activity (Go SEA)

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