UCSF

ZINC25686476

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 25 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) 2.51 9.74 -125.75 3 6 2 74 348.443 8
Hi High (pH 8-9.5) 2.51 6.21 -7.95 1 6 0 68 346.427 8
Mid Mid (pH 6-8) 2.51 7.96 -49.74 2 6 1 72 347.435 8
Mid Mid (pH 6-8) 2.51 8.58 -35.92 2 6 1 69 347.435 8

Activity (Go SEA)

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