UCSF

ZINC44243168

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) 1.99 1.4 -9.81 1 5 0 83 318.196 4
Mid Mid (pH 6-8) 1.99 1.48 -36.01 0 5 -1 85 317.188 4

Activity (Go SEA)

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