UCSF

ZINC33289374

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 23 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) 4.30 8.81 -9.67 1 4 0 62 326.783 4
Hi High (pH 8-9.5) 4.49 7.36 -40.05 0 4 -1 68 325.775 4

Activity (Go SEA)

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