UCSF

ZINC36637020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

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) 0.55 7.19 -46.82 1 9 1 90 372.434 4
Mid Mid (pH 6-8) 0.55 6.88 -19.34 0 9 0 89 371.426 4

Activity (Go SEA)

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