UCSF

ZINC09331568

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 26 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) 2.87 6.41 -57.31 1 5 -1 81 370.812 5
Mid Mid (pH 6-8) 2.29 -2.34 -12.9 1 5 0 74 371.82 5
Lo Low (pH 4.5-6) 2.87 5.59 -12.86 2 5 0 78 371.82 5

Activity (Go SEA)

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