UCSF

ZINC20442921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 35 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) 4.35 12.3 -69.53 1 7 0 83 480.605 12
Hi High (pH 8-9.5) 4.35 9.98 -59.09 0 7 -1 82 479.597 12
Lo Low (pH 4.5-6) 4.35 11.48 -49.18 2 7 1 81 481.613 12

Activity (Go SEA)

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