UCSF

ZINC29059953

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 21 No

Download: MOL2 SDF SMILES Flexibase

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) 3.75 6.36 -10.62 1 5 0 67 317.395 3
Hi High (pH 8-9.5) 4.21 4.24 -50.27 0 5 -1 70 316.387 3

Activity (Go SEA)

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