UCSF

ZINC09056978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 33 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) 4.94 8.14 -12.83 3 7 0 100 439.471 7
Hi High (pH 8-9.5) 4.94 8.91 -54.41 2 7 -1 103 438.463 7
Lo Low (pH 4.5-6) 4.94 8.46 -37.22 4 7 1 102 440.479 7

Activity (Go SEA)

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