UCSF

ZINC70514126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.88 3.29 -44.57 4 4 1 60 281.42 9
Hi High (pH 8-9.5) 1.88 2.81 -3.54 3 4 0 59 280.412 9
Mid Mid (pH 6-8) 1.88 3.82 -32.65 4 4 1 60 281.42 9
Mid Mid (pH 6-8) 1.88 4.07 -118.87 5 4 2 62 282.428 9

Activity (Go SEA)

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