UCSF

ZINC40113486

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 25 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) 2.52 6.19 -10.58 1 6 0 64 361.829 6
Lo Low (pH 4.5-6) 2.52 6.53 -36.44 2 6 1 65 362.837 6

Activity (Go SEA)

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