UCSF

ZINC35281236

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 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) 2.16 8.54 -58.43 0 4 -1 60 254.35 5
Lo Low (pH 4.5-6) 2.16 6.03 -5.73 1 4 0 58 255.358 5

Activity (Go SEA)

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