UCSF

ZINC55036341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 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) 4.30 8.15 -8.55 0 6 0 55 378.476 5
Mid Mid (pH 6-8) 4.30 8.13 -37.86 1 6 1 56 379.484 5

Activity (Go SEA)

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