UCSF

ZINC42835875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 38 No

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) 5.29 9.95 -17.35 1 6 0 67 552.569 4
Mid Mid (pH 6-8) 5.29 9.84 -44.25 0 6 -1 69 551.561 4

Activity (Go SEA)

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