UCSF

ZINC37040045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.69 1.43 -54.56 5 6 1 103 264.305 6
Mid Mid (pH 6-8) 1.14 -1.22 -89.16 4 6 0 106 263.297 6

Activity (Go SEA)

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