UCSF

ZINC49419880

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 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) 1.06 2.44 -49.88 1 5 -1 77 267.33 5
Mid Mid (pH 6-8) 1.06 2.45 -13.55 2 5 0 75 268.338 5

Activity (Go SEA)

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