UCSF

ZINC36779984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.62 10.34 -52.8 0 4 -1 58 269.255 2
Lo Low (pH 4.5-6) 3.62 10.82 -55.12 1 4 0 59 270.263 2

Activity (Go SEA)

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