UCSF

ZINC36110053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.99 3.97 -19.71 2 6 0 65 338.839 5
Mid Mid (pH 6-8) 1.99 6.19 -56.96 3 6 1 66 339.847 5

Activity (Go SEA)

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