UCSF

ZINC10511811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 30 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) 3.44 -3.47 -53.23 1 8 -1 113 430.458 9
Hi High (pH 8-9.5) 3.44 -3.03 -129.87 0 8 -2 116 429.45 9

Activity (Go SEA)

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