UCSF

ZINC34931517

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 5.00 10.06 -57.64 1 6 -1 94 455.515 4
Lo Low (pH 4.5-6) 5.00 9.3 -13.89 2 6 0 91 456.523 4

Activity (Go SEA)

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