UCSF

ZINC09601080

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2007 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) 6.82 4.59 -21.28 0 5 0 72 489.571 4
Mid Mid (pH 6-8) 7.25 4.83 -16.99 0 5 0 72 489.571 4
Mid Mid (pH 6-8) 7.09 5.18 -19.15 0 5 0 72 489.571 4

Activity (Go SEA)

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