UCSF

ZINC40181382

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) 1.86 9.16 -21.21 1 7 0 80 405.502 6
Lo Low (pH 4.5-6) 1.86 9.57 -44.71 2 7 1 81 406.51 6

Activity (Go SEA)

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