UCSF

ZINC09715863

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 2.90 11.64 -21.42 1 9 0 104 438.513 6
Mid Mid (pH 6-8) 2.90 0.23 -59.79 2 9 1 105 439.521 6

Activity (Go SEA)

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