UCSF

ZINC36717139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 23 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) 4.24 9.77 -19.9 1 5 0 64 333.457 9
Hi High (pH 8-9.5) 4.42 7.45 -48.05 0 5 -1 70 332.449 9

Activity (Go SEA)

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