UCSF

ZINC02481516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 29 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) 2.28 -1.33 -17.15 2 7 0 104 395.411 7
Mid Mid (pH 6-8) 1.70 -1.41 -25.79 1 7 0 100 395.411 7

Activity (Go SEA)

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