UCSF

ZINC36867681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.86 -1.67 -6.55 3 7 0 100 212.209 2
Mid Mid (pH 6-8) -0.40 -3.33 -36.24 2 7 -1 103 211.201 2

Activity (Go SEA)

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