UCSF

ZINC37777320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 3.97 9.57 -6.94 1 4 0 58 284.359 6
Lo Low (pH 4.5-6) 3.97 10.76 -49.56 2 4 1 62 285.367 6

Activity (Go SEA)

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