UCSF

ZINC09044453

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) 3.03 9.23 -67.23 0 7 -1 92 443.479 7
Mid Mid (pH 6-8) 2.45 9.65 -14.98 0 7 0 86 444.487 7
Mid Mid (pH 6-8) 3.48 9.82 -15.93 1 7 0 89 444.487 6
Lo Low (pH 4.5-6) 3.48 10.1 -41.72 2 7 1 90 445.495 6
Lo Low (pH 4.5-6) 2.45 9.93 -41.36 1 7 1 87 445.495 7

Activity (Go SEA)

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