UCSF

ZINC25311476

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 25 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) 2.51 5.37 -39.96 1 6 -1 79 358.374 3
Hi High (pH 8-9.5) 3.70 9.47 -17.24 0 6 0 67 434.533 6
Mid Mid (pH 6-8) 2.05 6.63 -12.93 2 6 0 76 359.382 3

Activity (Go SEA)

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