UCSF

ZINC39917328

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.14 13.05 -40.11 1 3 1 22 352.477 4
Hi High (pH 8-9.5) 5.14 11.2 -9.84 0 3 0 21 351.469 4

Activity (Go SEA)

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