UCSF

ZINC40861043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 18 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) 1.56 2.05 -53.13 3 5 1 66 278.442 5
Mid Mid (pH 6-8) 1.56 1.23 -7.51 2 5 0 61 277.434 5

Activity (Go SEA)

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