UCSF

ZINC37025152

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) 1.54 4.83 -47.36 4 5 1 73 265.381 7
Hi High (pH 8-9.5) 1.54 4.5 -8.89 3 5 0 71 264.373 7
Mid Mid (pH 6-8) 1.54 5.17 -90.2 5 5 2 74 266.389 7

Activity (Go SEA)

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