UCSF

ZINC39557510

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 29 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) 4.69 9.02 -14.36 2 8 0 116 383.367 3
Mid Mid (pH 6-8) 4.69 9.4 -30.93 3 8 1 117 384.375 3

Activity (Go SEA)

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