UCSF

ZINC49054512

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 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) 2.09 8.26 -39.37 2 7 1 66 426.566 4
Mid Mid (pH 6-8) 2.09 6.04 -10.35 1 7 0 65 425.558 4
Lo Low (pH 4.5-6) 2.09 10.67 -90.94 3 7 2 67 427.574 4

Activity (Go SEA)

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