UCSF

ZINC19817419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 Yes

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) 3.29 12.97 -22.81 2 8 0 96 445.523 5
Lo Low (pH 4.5-6) 3.29 13.3 -50.03 3 8 1 98 446.531 5

Activity (Go SEA)

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