UCSF

ZINC36853239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 No

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) -0.10 2.06 -50.88 3 6 1 83 254.31 4
Mid Mid (pH 6-8) -0.10 0.79 -13.79 2 6 0 79 253.302 4

Activity (Go SEA)

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