UCSF

ZINC43442317

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 0.91 3.41 -20.09 2 7 0 88 301.387 10
Mid Mid (pH 6-8) 0.91 4.53 -43.06 3 7 1 92 302.395 10

Activity (Go SEA)

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