UCSF

ZINC08705910

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 24 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) 4.05 11.33 -40.23 2 3 1 34 323.46 5
Hi High (pH 8-9.5) 4.05 9.2 -10.23 1 3 0 32 322.452 5

Activity (Go SEA)

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