UCSF

ZINC35729371

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 35 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) 4.70 10.04 -19.34 2 8 0 102 486.553 7
Hi High (pH 8-9.5) 4.89 8.17 -47.25 1 8 -1 109 485.545 7

Activity (Go SEA)

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