UCSF

ZINC44269192

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) 3.90 6.5 -5.84 3 3 0 55 249.745 3
Mid Mid (pH 6-8) 3.90 6.63 -27.31 4 3 1 56 250.753 3

Activity (Go SEA)

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