UCSF

ZINC44261051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 1.45 1.67 -13.06 1 5 0 83 257.29 5
Mid Mid (pH 6-8) 1.45 1.36 -34.76 0 5 -1 85 256.282 5

Activity (Go SEA)

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