UCSF

ZINC02126864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 36 No

Other Names:

MFCD03863735

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) 3.99 -4.6 -19.56 2 9 0 127 520.592 7
Hi High (pH 8-9.5) 3.99 -4.05 -50.75 1 9 -1 129 519.584 7

Activity (Go SEA)

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