UCSF

ZINC39912737

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 37 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) 4.83 10.22 -16.47 2 8 0 97 505.615 11
Hi High (pH 8-9.5) 4.60 9.91 -61.52 0 8 -1 96 504.607 11
Hi High (pH 8-9.5) 4.60 10.19 -53.17 0 8 -1 96 504.607 11
Hi High (pH 8-9.5) 4.83 11.21 -46.52 1 8 -1 100 504.607 11

Activity (Go SEA)

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