UCSF

ZINC44243629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 1.41 0.7 -52.69 4 5 1 87 337.263 6
Hi High (pH 8-9.5) 1.41 0.26 -33.34 3 5 0 89 336.255 6

Activity (Go SEA)

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