UCSF

ZINC39964051

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 33 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) 2.01 11.26 -13.99 1 8 0 80 447.539 8
Mid Mid (pH 6-8) 2.01 13.53 -44.54 2 8 1 81 448.547 8
Mid Mid (pH 6-8) 2.01 11.73 -36.71 2 8 1 81 448.547 8
Lo Low (pH 4.5-6) 2.01 13.99 -96.32 3 8 2 82 449.555 8

Activity (Go SEA)

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