UCSF

ZINC39853671

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.99 11.9 -47.58 1 4 1 34 383.537 3
Hi High (pH 8-9.5) 3.99 9.63 -14.56 0 4 0 33 382.529 3

Activity (Go SEA)

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