UCSF

ZINC44888952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 22 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) 1.61 6.28 -56.35 2 6 1 65 322.41 7
Mid Mid (pH 6-8) 1.43 5.64 -43.45 1 6 0 71 321.402 7

Activity (Go SEA)

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