UCSF

ZINC20347693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 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) 4.16 8.82 -29.75 3 9 0 130 521.595 11
Hi High (pH 8-9.5) 4.16 9.61 -76.33 2 9 -1 133 520.587 11

Activity (Go SEA)

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