UCSF

ZINC20562740

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 21 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) 2.35 3.83 -51.64 2 6 -1 102 307.351 5
Hi High (pH 8-9.5) 2.35 3.92 -101.47 1 6 -2 104 306.343 5

Activity (Go SEA)

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