UCSF

ZINC36133158

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 2.82 5.65 -12.3 0 6 0 59 390.505 5
Mid Mid (pH 6-8) 2.82 7.65 -51.32 1 6 1 60 391.513 5

Activity (Go SEA)

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