UCSF

ZINC37810965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.80 6.65 -49.06 3 6 1 94 280.348 7
Mid Mid (pH 6-8) 1.80 6.36 -7.86 2 6 0 92 279.34 7

Activity (Go SEA)

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