UCSF

ZINC11858086

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 27 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) 3.20 -7.52 -21.95 1 7 0 101 473.37 4
Hi High (pH 8-9.5) 3.20 -6.94 -54.7 0 7 -1 103 472.362 4

Activity (Go SEA)

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