UCSF

ZINC36635263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 No

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) 2.51 8.85 -12.57 0 6 0 61 409.511 5
Mid Mid (pH 6-8) 2.51 11.06 -53.66 1 6 1 62 410.519 5

Activity (Go SEA)

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