UCSF

ZINC13216508

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 28 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) 3.06 7.3 -57.36 0 6 -1 79 400.476 8
Lo Low (pH 4.5-6) 3.06 6.48 -12.78 1 6 0 76 401.484 8

Activity (Go SEA)

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