UCSF

ZINC36794126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 0.17 -1.63 -13.59 3 5 0 73 238.287 4
Hi High (pH 8-9.5) 0.17 0.36 -37.92 3 5 0 80 238.287 4

Activity (Go SEA)

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