UCSF

ZINC37040627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.81 6.46 -10.84 2 5 0 63 300.749 4
Hi High (pH 8-9.5) 2.81 7.22 -37.92 1 5 -1 66 299.741 4
Lo Low (pH 4.5-6) 2.81 7.02 -31.77 3 5 1 64 301.757 4

Activity (Go SEA)

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