UCSF

ZINC19851433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 1.35 2.93 -49.56 3 5 1 57 312.821 6
Mid Mid (pH 6-8) 1.35 0.62 -13.33 2 5 0 56 311.813 6

Activity (Go SEA)

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