UCSF

ZINC37003103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -0.91 2.18 -53.4 6 5 1 100 284.339 5
Mid Mid (pH 6-8) -0.91 1.85 -15.14 5 5 0 98 283.331 5

Activity (Go SEA)

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