UCSF

ZINC36136819

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 11 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) -1.80 -1.06 -45.36 4 4 1 68 159.209 4
Hi High (pH 8-9.5) -1.80 -1.43 -10.54 3 4 0 67 158.201 4

Activity (Go SEA)

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