UCSF

ZINC40383686

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 27 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) 3.10 10.87 -13.89 2 7 0 89 381.823 4
Hi High (pH 8-9.5) 3.29 9.03 -50.11 1 7 -1 95 380.815 4

Activity (Go SEA)

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