UCSF

ZINC33515374

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 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) 2.30 8.5 -51.6 1 7 0 83 394.427 6
Hi High (pH 8-9.5) 2.30 5.98 -39.04 0 7 -1 82 393.419 6

Activity (Go SEA)

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