UCSF

ZINC37332047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.34 5.92 -37.65 2 4 1 45 281.351 5
Hi High (pH 8-9.5) 2.34 4.63 -45.54 0 4 -1 47 279.335 5
Mid Mid (pH 6-8) 2.34 3.63 -7.29 1 4 0 44 280.343 5

Activity (Go SEA)

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