UCSF

ZINC39855939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

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) 2.60 7.87 -41.48 6 9 1 137 442.54 8
Hi High (pH 8-9.5) 2.60 7.93 -19.99 5 9 0 135 441.532 8

Activity (Go SEA)

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