UCSF

ZINC37120753

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) 3.48 3.54 -55.16 3 5 -1 93 286.307 4
Lo Low (pH 4.5-6) 3.48 1.57 -10.51 4 5 0 90 287.315 4

Activity (Go SEA)

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