UCSF

ZINC09253975

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 19 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) 2.53 6.59 -13.21 2 4 0 58 276.361 4
Hi High (pH 8-9.5) 2.53 7.38 -37.55 1 4 -1 61 275.353 4
Mid Mid (pH 6-8) 3.25 6.79 -14.58 2 4 0 56 276.361 4

Activity (Go SEA)

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