UCSF

ZINC53127120

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) 1.28 1.11 -41.02 5 4 1 77 243.371 5
Mid Mid (pH 6-8) 1.28 0.79 -6.06 4 4 0 75 242.363 5

Activity (Go SEA)

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