UCSF

ZINC36874215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.77 6.32 -47.97 3 3 1 45 264.299 2
Mid Mid (pH 6-8) 1.77 6.9 -99.93 4 3 2 47 265.307 2

Activity (Go SEA)

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