UCSF

ZINC36828888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 17 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 -1.96 -15.95 2 6 0 90 258.299 2
Hi High (pH 8-9.5) -0.67 -4.02 -47.05 1 6 -1 94 257.291 2

Activity (Go SEA)

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