UCSF

ZINC29810017

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 30 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) 2.25 4.59 -50.64 0 8 -1 96 418.355 4
Lo Low (pH 4.5-6) 1.80 6.64 -16.21 1 8 0 93 419.363 4

Activity (Go SEA)

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