UCSF

ZINC41678824

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 2.26 3.16 -41.43 2 5 1 63 371.708 7
Hi High (pH 8-9.5) 2.26 3.3 -49.23 1 5 0 66 370.7 7

Activity (Go SEA)

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