UCSF

ZINC41539534

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 2.14 9.29 -46.75 1 6 1 64 344.435 5
Hi High (pH 8-9.5) 2.14 7.13 -15.71 0 6 0 63 343.427 5

Activity (Go SEA)

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