UCSF

ZINC36237521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 21 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) 4.47 8.95 -52.3 0 4 -1 57 320.155 2
Mid Mid (pH 6-8) 4.47 9.41 -38.61 1 4 0 59 321.163 2

Activity (Go SEA)

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