UCSF

ZINC37120765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 4.08 6.12 -53.63 2 4 -1 72 290.726 4
Hi High (pH 8-9.5) 4.08 6.88 -94.24 1 4 -2 75 289.718 4
Lo Low (pH 4.5-6) 4.08 4.15 -9.05 3 4 0 70 291.734 4

Activity (Go SEA)

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