UCSF

ZINC36125451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 2.14 5.31 -6.85 0 3 0 24 212.337 3
Mid Mid (pH 6-8) 2.14 6.84 -41.09 1 3 1 25 213.345 3

Activity (Go SEA)

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