UCSF

ZINC19913278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 3.70 7.97 -38.52 2 2 1 20 261.433 7
Hi High (pH 8-9.5) 3.70 9.19 -35.89 2 2 1 16 261.433 7

Activity (Go SEA)

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