UCSF

ZINC36873207

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) -1.13 1.94 -47.07 3 5 1 68 216.305 5
Hi High (pH 8-9.5) -1.13 1.6 -13.58 2 5 0 67 215.297 5

Activity (Go SEA)

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