UCSF

ZINC20130602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 4.67 14.2 -72.07 1 9 0 120 509.603 12
Hi High (pH 8-9.5) 4.67 11.88 -54.17 0 9 -1 119 508.595 12

Activity (Go SEA)

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