UCSF

ZINC19300995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 30 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) 3.38 12.31 -47.77 1 6 1 54 408.57 6
Hi High (pH 8-9.5) 3.38 9.78 -15.73 0 6 0 53 407.562 6
Mid Mid (pH 6-8) 3.38 12.61 -75 2 6 2 55 409.578 6

Activity (Go SEA)

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