UCSF

ZINC36214903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.34 2.37 -7.02 0 6 0 63 382.313 5
Mid Mid (pH 6-8) 2.34 4.39 -41.85 1 6 1 64 383.321 5

Activity (Go SEA)

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