UCSF

ZINC42822060

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.31 4.74 -6.29 1 4 0 47 207.277 3
Mid Mid (pH 6-8) 1.31 5.17 -29.97 2 4 1 48 208.285 3

Activity (Go SEA)

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