UCSF

ZINC34943849

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) 3.26 11.47 -56.92 1 7 0 83 452.551 9
Lo Low (pH 4.5-6) 3.26 10.72 -47.28 2 7 1 81 453.559 9

Activity (Go SEA)

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