UCSF

ZINC20522138

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) 3.73 5.51 -57.24 3 3 1 46 323.21 4
Hi High (pH 8-9.5) 3.73 5.24 -6.57 2 3 0 44 322.202 4

Activity (Go SEA)

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