UCSF

ZINC31899559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 4.34 14.41 -53.53 1 5 1 49 426.606 8
Hi High (pH 8-9.5) 4.34 11.98 -13.45 0 5 0 47 425.598 8

Activity (Go SEA)

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