UCSF

ZINC44684866

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 1.56 3.28 -38.48 3 4 1 46 261.345 3
Hi High (pH 8-9.5) 1.56 0.95 -5.16 2 4 0 45 260.337 3
Lo Low (pH 4.5-6) 1.56 1.94 -43.75 3 4 1 49 261.345 3

Activity (Go SEA)

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