UCSF

ZINC35148005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 27 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) 2.64 7.83 -12.49 2 9 0 111 373.413 6
Hi High (pH 8-9.5) 1.89 6.96 -32.36 1 9 -1 118 372.405 5

Activity (Go SEA)

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