UCSF

ZINC36797039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.21 2.55 -53.15 4 5 1 73 249.338 3
Hi High (pH 8-9.5) 0.21 2.15 -13.11 3 5 0 71 248.33 3
Mid Mid (pH 6-8) 0.21 2.87 -109.47 5 5 2 74 250.346 3

Activity (Go SEA)

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