UCSF

ZINC36070281

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 24 Yes

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) 3.59 11.76 -56.94 1 4 1 39 362.906 4
Hi High (pH 8-9.5) 3.59 9.31 -11.81 0 4 0 38 361.898 4

Activity (Go SEA)

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