UCSF

ZINC36850937

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.21 6.75 -49.96 2 4 1 54 259.329 4
Hi High (pH 8-9.5) 1.21 5.74 -10.22 1 4 0 49 258.321 4

Activity (Go SEA)

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