UCSF

ZINC36397297

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.25 3.38 -8.15 1 4 0 59 379.638 4
Mid Mid (pH 6-8) 3.25 3.51 -34.94 0 4 -1 61 378.63 4

Activity (Go SEA)

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