UCSF

ZINC39557491

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 33 No

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) 4.81 10.56 -22.8 2 7 0 88 437.503 6
Mid Mid (pH 6-8) 4.81 10.94 -37.24 3 7 1 90 438.511 6

Activity (Go SEA)

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