UCSF

ZINC21835585

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 3.50 9.11 -36.05 1 7 1 71 372.836 4
Mid Mid (pH 6-8) 3.50 11.01 -48.85 1 7 1 71 372.836 4
Mid Mid (pH 6-8) 3.50 11.42 -120.62 2 7 2 72 373.844 4
Mid Mid (pH 6-8) 3.50 8.7 -12.13 0 7 0 70 371.828 4

Activity (Go SEA)

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