UCSF

ZINC35844817

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 4.91 16.01 -39.28 1 4 1 38 441.542 11
Hi High (pH 8-9.5) 4.91 13.67 -10.94 0 4 0 37 440.534 11

Activity (Go SEA)

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