UCSF

ZINC20171551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 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) 4.41 11.63 -57.95 0 6 -1 73 473.593 8
Ref Reference (pH 7) 4.41 11.32 -62.31 0 6 -1 73 473.593 9
Mid Mid (pH 6-8) 4.41 13.7 -77.54 1 6 0 74 474.601 9
Mid Mid (pH 6-8) 4.41 14.06 -74.12 1 6 0 74 474.601 8
Lo Low (pH 4.5-6) 4.41 12.68 -49.73 2 6 1 71 475.609 9

Activity (Go SEA)

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