UCSF

ZINC34683294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.78 11.45 -41.3 2 5 1 54 437.585 6
Hi High (pH 8-9.5) 4.78 9.15 -14.47 1 5 0 53 436.577 6

Activity (Go SEA)

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