UCSF

ZINC02601761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 19 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) 2.27 -0.14 -8.76 1 4 0 46 257.337 4
Mid Mid (pH 6-8) -1.13 0.08 -29.9 2 4 1 48 258.345 4

Activity (Go SEA)

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