UCSF

ZINC19475608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.97 6.15 -103.19 3 4 2 41 255.406 2
Hi High (pH 8-9.5) 0.97 3.74 -42.64 2 4 1 40 254.398 2

Activity (Go SEA)

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