UCSF

ZINC39919073

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.15 9.22 -29.17 2 11 0 143 516.51 7
Lo Low (pH 4.5-6) 1.15 9.68 -58.82 3 11 1 144 517.518 7

Activity (Go SEA)

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