UCSF

ZINC44684570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.90 6.57 -31.55 3 3 1 37 340.285 5
Hi High (pH 8-9.5) 2.90 4.22 -3.23 2 3 0 35 339.277 5
Lo Low (pH 4.5-6) 2.90 5.02 -38.21 3 3 1 40 340.285 5

Activity (Go SEA)

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