UCSF

ZINC36871791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 0.61 3.33 -40.48 3 3 1 48 185.291 4
Hi High (pH 8-9.5) 0.61 3 -7.62 2 3 0 46 184.283 4

Activity (Go SEA)

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