UCSF

ZINC20364021

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 15 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) 2.19 5.04 -35.63 3 3 1 46 215.361 6
Hi High (pH 8-9.5) 2.19 3.86 -7.03 2 3 0 41 214.353 6

Activity (Go SEA)

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