UCSF

ZINC36828875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) -0.65 -2.02 -18.41 3 7 0 113 285.325 3
Hi High (pH 8-9.5) -0.19 -4.08 -49.88 2 7 -1 116 284.317 3

Activity (Go SEA)

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