UCSF

ZINC42770630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 2.58 9.32 -34.31 1 5 0 67 288.347 6
Mid Mid (pH 6-8) 2.58 8.92 -50.1 0 5 -1 65 287.339 6

Activity (Go SEA)

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