UCSF

ZINC43425511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.87 5.3 -11.14 2 3 0 38 308.422 3
Mid Mid (pH 6-8) 2.87 7.55 -45.16 3 3 1 40 309.43 3

Activity (Go SEA)

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