UCSF

ZINC09375290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 28 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) 3.99 9.81 -51.24 0 5 -1 70 419.284 7
Mid Mid (pH 6-8) 3.41 9.37 -18.53 0 5 0 64 420.292 7
Mid Mid (pH 6-8) 4.43 8.38 -27.26 1 5 0 67 420.292 6

Activity (Go SEA)

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