UCSF

ZINC52295340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) -0.18 1.9 -54.43 4 4 1 74 255.363 4
Hi High (pH 8-9.5) -0.18 1.6 -8.06 3 4 0 72 254.355 4

Activity (Go SEA)

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