UCSF

ZINC36136966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 0.55 5.95 -16.11 0 4 0 47 213.277 3
Hi High (pH 8-9.5) 0.57 4.88 -49.78 0 4 -1 53 212.269 3

Activity (Go SEA)

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