UCSF

ZINC36753059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 4.58 9.6 -38.08 2 1 1 17 327.242 4
Hi High (pH 8-9.5) 4.58 8.32 -4 1 1 0 12 326.234 4

Activity (Go SEA)

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