UCSF

ZINC36872927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.02 2.27 -91.69 5 4 2 61 203.33 7
Hi High (pH 8-9.5) 0.02 1.97 -40.91 4 4 1 60 202.322 7

Activity (Go SEA)

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