UCSF

ZINC36671557

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 2.97 7.91 -11.73 2 4 0 53 281.359 5
Mid Mid (pH 6-8) 2.97 8.34 -31.32 3 4 1 54 282.367 5

Activity (Go SEA)

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