UCSF

ZINC36851103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) -0.06 3.5 -48.24 2 5 1 63 241.311 4
Hi High (pH 8-9.5) -0.06 2.14 -10.82 1 5 0 59 240.303 4

Activity (Go SEA)

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