UCSF

ZINC36732213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 2.75 5.22 -46.06 3 3 1 40 277.432 7
Hi High (pH 8-9.5) 2.75 6.74 -34.74 3 3 1 40 277.432 7

Activity (Go SEA)

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