UCSF

ZINC38725863

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 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) 5.19 11.3 -35.8 0 4 -1 74 399.551 7
Mid Mid (pH 6-8) 4.60 12.45 -8.21 0 4 0 68 400.559 7

Activity (Go SEA)

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