UCSF

ZINC37039669

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -1.76 0.16 -98.25 4 6 2 65 258.366 4
Mid Mid (pH 6-8) -1.76 -2.04 -47.98 3 6 1 64 257.358 4
Lo Low (pH 4.5-6) -1.76 0.24 -119.32 4 6 2 65 258.366 4

Activity (Go SEA)

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