UCSF

ZINC31867361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 3.95 10.97 -50.12 2 6 1 69 445.634 9
Mid Mid (pH 6-8) 3.95 8.91 -12.2 1 6 0 67 444.626 9

Activity (Go SEA)

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