UCSF

ZINC12523711

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 2.52 9.61 -51.01 4 8 1 113 309.309 2
Ref Reference (pH 7) 2.39 9.68 -49.25 4 8 1 116 309.309 2
Mid Mid (pH 6-8) 2.39 9.18 -22.32 3 8 0 114 308.301 2

Activity (Go SEA)

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