UCSF

ZINC37033316

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 0.49 2.16 -15.14 2 6 0 72 277.353 2
Mid Mid (pH 6-8) 0.49 3.35 -52.06 3 6 1 76 278.361 2

Activity (Go SEA)

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