UCSF

ZINC42770663

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.03 7.38 -59.15 0 6 -1 70 276.316 6
Mid Mid (pH 6-8) 2.03 7.85 -68.7 2 6 1 72 278.332 6
Mid Mid (pH 6-8) 2.03 7.85 -45.14 1 6 0 71 277.324 6

Activity (Go SEA)

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