UCSF

ZINC01329644

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 29 Yes

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) 3.39 -7.39 -18.48 2 8 0 114 432.527 8
Hi High (pH 8-9.5) 3.39 -6.81 -42.9 1 8 -1 116 431.519 8

Activity (Go SEA)

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