UCSF

ZINC09540770

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 32 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) 4.88 12.87 -61.76 0 5 -1 70 424.476 7
Mid Mid (pH 6-8) 4.88 11.86 -29.31 1 5 0 67 425.484 6
Mid Mid (pH 6-8) 4.30 12.83 -23.35 0 5 0 64 425.484 7
Lo Low (pH 4.5-6) 4.88 11.97 -13.87 1 5 0 67 425.484 7

Activity (Go SEA)

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