UCSF

ZINC11613717

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 22 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) 4.80 -2.57 -8.39 1 4 0 55 360.262 4
Hi High (pH 8-9.5) 4.80 -1.99 -41.17 0 4 -1 57 359.254 4

Activity (Go SEA)

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