UCSF

ZINC09714692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 4.07 7.67 -20.59 2 7 0 105 455.561 5
Hi High (pH 8-9.5) 4.07 7.71 -58.24 1 7 -1 107 454.553 5

Activity (Go SEA)

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