UCSF

ZINC26817324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 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) 2.62 4.6 -9.79 1 6 0 76 306.428 7
Hi High (pH 8-9.5) 2.62 4.28 -38.9 0 6 -1 78 305.42 7
Mid Mid (pH 6-8) 2.62 4.33 -41.69 2 6 1 80 307.436 7

Activity (Go SEA)

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