UCSF

ZINC20470638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 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) 2.25 4.81 -64.01 4 5 1 75 315.821 7
Hi High (pH 8-9.5) 2.25 4.42 -15.03 3 5 0 74 314.813 7

Activity (Go SEA)

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