UCSF

ZINC36673668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 3.32 5.67 -11.09 2 3 0 53 294.464 4
Mid Mid (pH 6-8) 4.01 5.51 -8.12 3 3 0 55 294.464 4

Activity (Go SEA)

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