UCSF

ZINC08971064

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 23 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) 3.60 7.85 -8.19 2 4 0 58 323.783 2
Ref Reference (pH 7) 3.60 7.78 -7.94 2 4 0 58 323.783 2

Activity (Go SEA)

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