UCSF

ZINC70514518

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.15 4.67 -90.32 4 4 2 45 301.519 10
Hi High (pH 8-9.5) 2.15 3.43 -35.62 3 4 1 40 300.511 10
Mid Mid (pH 6-8) 2.15 6.92 -165.94 5 4 3 46 302.527 10
Mid Mid (pH 6-8) 2.15 4.44 -74.96 4 4 2 45 301.519 10

Activity (Go SEA)

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