UCSF

ZINC73874690

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2012 24 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) 2.10 10.3 -48.68 1 5 1 51 333.452 7
Hi High (pH 8-9.5) 2.10 8.16 -12.89 0 5 0 50 332.444 7

Activity (Go SEA)

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