UCSF

ZINC39849519

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 30 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 12.13 -69.99 1 6 0 78 408.498 9
Lo Low (pH 4.5-6) 3.06 11.27 -45.81 2 6 1 75 409.506 9

Activity (Go SEA)

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