UCSF

ZINC35601070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 20 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) 2.42 7.18 -98.91 4 3 2 41 278.44 6
Hi High (pH 8-9.5) 2.42 6.19 -32.79 3 3 1 37 277.432 6

Activity (Go SEA)

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