UCSF

ZINC57773342

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2011 23 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) 3.50 9.1 -5.89 0 4 0 41 316.445 7
Mid Mid (pH 6-8) 3.50 11.13 -48.18 1 4 1 42 317.453 7

Activity (Go SEA)

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