UCSF

ZINC35179821

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) -0.60 -1.15 -6.9 3 7 0 100 214.225 6
Mid Mid (pH 6-8) -0.14 -2.81 -36.29 2 7 -1 103 213.217 6

Activity (Go SEA)

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