UCSF

ZINC20358803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 4.81 14.14 -69.23 1 6 0 74 484.596 11
Hi High (pH 8-9.5) 4.81 11.94 -60.11 0 6 -1 73 483.588 11
Lo Low (pH 4.5-6) 4.81 13.32 -48.56 2 6 1 71 485.604 11

Activity (Go SEA)

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