UCSF

ZINC59336003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 28 No

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) 6.73 12.5 -11.72 1 4 0 66 452.124 4
Mid Mid (pH 6-8) 6.92 10.49 -42.12 0 4 -1 72 451.116 4

Activity (Go SEA)

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