UCSF

ZINC16474600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 32 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) 4.53 7.5 -21.1 2 7 0 94 472.95 5
Hi High (pH 8-9.5) 4.53 7.57 -58.38 1 7 -1 96 471.942 5

Activity (Go SEA)

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