UCSF

ZINC53629624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 32 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) 3.65 8.85 -40.68 4 7 1 87 445.469 7
Mid Mid (pH 6-8) 3.65 8.38 -15.63 3 7 0 85 444.461 7

Activity (Go SEA)

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