UCSF

ZINC36649279

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 26 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) 5.28 10.29 -17.57 1 5 0 60 370.474 7
Hi High (pH 8-9.5) 5.46 7.71 -47.45 0 5 -1 67 369.466 7

Activity (Go SEA)

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