UCSF

ZINC09067009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 21 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) 3.24 3.3 -11.54 2 5 0 65 301.733 1
Ref Reference (pH 7) 3.42 5.97 -10.64 2 5 0 61 301.733 1

Activity (Go SEA)

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