UCSF

ZINC37432824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) -1.66 2.47 -74.99 2 8 -1 128 292.271 4
Mid Mid (pH 6-8) -1.20 0.5 -135.07 1 8 -2 131 291.263 4

Activity (Go SEA)

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