UCSF

ZINC31899850

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 32 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) 1.87 10.68 -60.01 2 9 1 108 476.604 7
Mid Mid (pH 6-8) 1.87 8.24 -20.61 1 9 0 106 475.596 7

Activity (Go SEA)

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