UCSF

ZINC36378570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 18 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) -1.81 -5.08 -45.18 3 9 -1 132 254.226 5
Lo Low (pH 4.5-6) -1.81 -5.09 -19.11 4 9 0 134 255.234 5

Activity (Go SEA)

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