UCSF

ZINC33733178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 17 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) 2.66 5.47 -12.47 1 3 0 42 244.319 4
Mid Mid (pH 6-8) 2.66 4.47 -39.95 0 3 -1 44 243.311 4

Activity (Go SEA)

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