UCSF

ZINC44098022

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 4.54 9.2 -36.97 2 2 1 26 272.412 6
Hi High (pH 8-9.5) 4.54 7.82 -3.92 1 2 0 21 271.404 6

Activity (Go SEA)

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