UCSF

ZINC05525941

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 17 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) 2.28 3.59 -12.27 3 5 0 69 313.18 3
Mid Mid (pH 6-8) 2.73 1.64 -38.31 2 5 -1 72 312.172 3

Activity (Go SEA)

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