UCSF

ZINC04301578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 17 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) 2.01 5.61 -10.21 1 4 0 67 253.685 5
Mid Mid (pH 6-8) 2.01 5.77 -10.72 1 4 0 67 253.685 5

Activity (Go SEA)

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