UCSF

ZINC38587799

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 3.02 9.17 -55.94 2 7 1 64 426.537 9
Mid Mid (pH 6-8) 3.02 6.96 -15 1 7 0 63 425.529 9

Activity (Go SEA)

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