UCSF

ZINC44240390

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 No

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) 0.19 0.11 -7.65 1 5 0 53 216.281 4
Lo Low (pH 4.5-6) 0.19 2.4 -39.51 2 5 1 54 217.289 4

Activity (Go SEA)

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