UCSF

ZINC19952765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 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) 2.40 4.71 -6.34 3 3 0 51 213.284 3
Mid Mid (pH 6-8) 2.40 5.16 -29.29 4 3 1 52 214.292 3

Activity (Go SEA)

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