UCSF

ZINC20506782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 3.55 5.09 -43.36 3 3 1 50 237.367 8
Hi High (pH 8-9.5) 3.55 4.7 -4.3 2 3 0 48 236.359 8

Activity (Go SEA)

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