UCSF

ZINC13690066

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 34 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) 2.59 6.95 -15.9 0 8 0 83 460.486 6
Lo Low (pH 4.5-6) 2.59 10.13 -122.57 2 8 2 86 462.502 6

Activity (Go SEA)

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