UCSF

ZINC37120527

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 Yes

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) 3.45 4.88 -55.27 2 5 -1 82 286.307 5
Lo Low (pH 4.5-6) 3.45 2.91 -9.68 3 5 0 79 287.315 5

Activity (Go SEA)

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