UCSF

ZINC09259665

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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) 6.58 11.93 -16.18 2 6 0 87 432.53 4
Lo Low (pH 4.5-6) 6.58 12.44 -27.91 3 6 1 88 433.538 4
Lo Low (pH 4.5-6) 6.58 12.04 -27.25 3 6 1 88 433.538 4

Activity (Go SEA)

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