UCSF

ZINC53117193

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.01 3.72 -28.17 3 4 1 51 238.355 4
Hi High (pH 8-9.5) 1.01 3.15 -7.07 2 4 0 50 237.347 4
Mid Mid (pH 6-8) 1.01 3.97 -34.64 3 4 1 55 238.355 4
Mid Mid (pH 6-8) 1.01 4.51 -98.63 4 4 2 56 239.363 4

Activity (Go SEA)

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