UCSF

ZINC09720867

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 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) 6.37 10.63 -11.74 1 4 0 55 406.894 3
Hi High (pH 8-9.5) 6.37 11.4 -41.8 0 4 -1 57 405.886 3
Hi High (pH 8-9.5) 6.37 10.21 -43.13 0 4 -1 57 405.886 3

Activity (Go SEA)

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