UCSF

ZINC02986669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 22 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) 1.86 4.68 -12.01 2 6 0 84 365.183 5
Mid Mid (pH 6-8) 2.31 1.86 -43.85 1 6 -1 87 364.175 5

Activity (Go SEA)

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