UCSF

ZINC00697740

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 3.45 10.02 -24.54 2 7 0 91 482.581 9
Hi High (pH 8-9.5) 3.27 8.73 -60.57 1 7 -1 98 481.573 9

Activity (Go SEA)

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