UCSF

ZINC20135012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 2.58 8.82 -67.45 1 6 0 78 386.423 8
Hi High (pH 8-9.5) 2.58 6.53 -55.05 0 6 -1 77 385.415 8
Lo Low (pH 4.5-6) 2.58 7.99 -48.52 2 6 1 75 387.431 8

Activity (Go SEA)

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