UCSF

ZINC41660875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 6.55 12.14 -8.64 0 4 0 43 437.539 3
Mid Mid (pH 6-8) 6.55 15.12 -44.97 1 4 1 44 438.547 3

Activity (Go SEA)

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