UCSF

ZINC45666048

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 3.00 7.05 -109.03 4 3 2 35 259.482 12
Hi High (pH 8-9.5) 3.00 4.58 -43.29 3 3 1 34 258.474 12
Lo Low (pH 4.5-6) 3.00 8.69 -226.07 5 3 3 37 260.49 12

Activity (Go SEA)

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