UCSF

ZINC40181205

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.84 10.85 -15.58 0 7 0 71 407.518 9
Lo Low (pH 4.5-6) 1.84 11.81 -35.01 1 7 1 73 408.526 9

Activity (Go SEA)

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