UCSF

ZINC37120547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 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) 2.88 7.41 -53 1 3 -1 52 238.332 6
Lo Low (pH 4.5-6) 2.88 5.44 -8.21 2 3 0 49 239.34 6

Activity (Go SEA)

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