UCSF

ZINC45628750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.00 -0.09 -9.78 4 5 0 92 282.365 4
Hi High (pH 8-9.5) 2.00 0.67 -42.33 3 5 -1 95 281.357 4

Activity (Go SEA)

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