UCSF

ZINC30834841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 23 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) 1.80 5.65 -75.88 2 6 -1 98 317.365 5
Lo Low (pH 4.5-6) 1.80 4.52 -24.36 3 6 0 95 318.373 5

Activity (Go SEA)

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