UCSF

ZINC36749255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 13 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) -0.36 -1.55 -8.64 4 5 0 76 184.243 4
Mid Mid (pH 6-8) -0.36 -1.42 -27.57 5 5 1 77 185.251 4

Activity (Go SEA)

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