UCSF

ZINC46526615

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 23 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) 2.33 9.42 -49.58 2 4 1 57 308.405 6
Hi High (pH 8-9.5) 2.33 7.08 -9.32 1 4 0 56 307.397 6

Activity (Go SEA)

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