UCSF

ZINC02932066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 16 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) 2.23 3.33 -39.28 3 3 1 46 244.742 6
Hi High (pH 8-9.5) 2.23 1.92 -5.16 2 3 0 41 243.734 6

Activity (Go SEA)

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