UCSF

ZINC43800568

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) 0.41 3.51 -54.38 4 6 1 84 290.343 4
Hi High (pH 8-9.5) 0.41 2.16 -14.79 3 6 0 79 289.335 4

Activity (Go SEA)

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