UCSF

ZINC09007914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 28 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) 3.00 10.08 -12.58 0 7 0 80 373.416 3
Ref Reference (pH 7) 2.80 8.31 -16.21 1 7 0 85 373.416 3
Ref Reference (pH 7) 2.34 10.09 -26.4 1 7 0 85 373.416 3
Mid Mid (pH 6-8) 2.80 9.04 -55.66 0 7 -1 88 372.408 3

Activity (Go SEA)

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