UCSF

ZINC37044687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.43 0.14 -52.48 5 6 1 103 304.367 5
Hi High (pH 8-9.5) 0.42 0.02 -51.02 3 6 -1 103 302.351 5
Mid Mid (pH 6-8) 0.43 0.32 -74.8 4 6 0 105 303.359 5

Activity (Go SEA)

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