UCSF

ZINC45694317

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) -0.02 3.71 -51.69 2 5 1 63 241.311 6
Hi High (pH 8-9.5) -0.01 2.43 -9.91 1 5 0 59 240.303 6

Activity (Go SEA)

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