UCSF

ZINC02675864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2004 28 No

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) 3.73 5.27 -26.18 3 7 0 103 484.137 5
Mid Mid (pH 6-8) 4.19 3.38 -60.51 2 7 -1 107 483.129 5

Activity (Go SEA)

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