UCSF

ZINC08845678

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 30 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) 2.71 4.75 -16.07 3 8 0 116 407.426 6
Hi High (pH 8-9.5) 2.71 5.59 -58.01 2 8 -1 119 406.418 6

Activity (Go SEA)

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