UCSF

ZINC08617390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2007 19 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) 2.36 3.86 -7.32 2 5 0 75 259.309 4
Mid Mid (pH 6-8) 2.82 2.07 -45.38 1 5 -1 78 258.301 4

Activity (Go SEA)

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