UCSF

ZINC33782809

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.70 5.5 -11.3 1 2 0 33 221.259 1
Hi High (pH 8-9.5) 3.70 6.28 -52.02 0 2 -1 36 220.251 1

Activity (Go SEA)

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