UCSF

ZINC26509511

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 0.46 3.46 -111.48 5 4 2 65 268.382 7
Hi High (pH 8-9.5) 0.46 1.14 -53.87 4 4 1 64 267.374 7
Hi High (pH 8-9.5) 0.46 0.56 -7.43 3 4 0 63 266.366 7
Mid Mid (pH 6-8) 0.46 2.87 -33.71 4 4 1 64 267.374 7

Activity (Go SEA)

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