UCSF

ZINC20290306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 No

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) 1.93 6.8 -58.73 0 10 -1 118 507.519 8
Mid Mid (pH 6-8) 1.93 9.15 -76.12 1 10 0 119 508.527 8
Mid Mid (pH 6-8) 1.32 6.18 -40.3 2 5 1 52 325.454 5
Mid Mid (pH 6-8) 1.32 3.92 -11.65 1 5 0 51 324.446 5

Activity (Go SEA)

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