UCSF

ZINC39911735

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 5.49 10.31 -11.52 2 7 0 88 477.605 10
Hi High (pH 8-9.5) 5.26 10.15 -56.76 0 7 -1 87 476.597 10
Hi High (pH 8-9.5) 5.26 10.12 -54.52 0 7 -1 87 476.597 10
Hi High (pH 8-9.5) 5.49 11.13 -49.03 1 7 -1 91 476.597 10

Activity (Go SEA)

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