UCSF

ZINC35659481

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 2.04 6.85 -124.11 4 3 2 35 261.413 4
Hi High (pH 8-9.5) 2.04 4.95 -2.62 2 3 0 32 259.397 4
Mid Mid (pH 6-8) 2.04 5.02 -45.38 3 3 1 34 260.405 4
Mid Mid (pH 6-8) 2.04 7 -33.12 3 3 1 34 260.405 4

Activity (Go SEA)

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