UCSF

ZINC37096875

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 5.96 8.24 -129.81 4 2 2 32 320.424 8
Hi High (pH 8-9.5) 5.96 7.9 -32.93 3 2 1 30 319.416 8
Mid Mid (pH 6-8) 5.96 6.63 -47.73 3 2 1 31 319.416 8

Activity (Go SEA)

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