UCSF

ZINC20661169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 23 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) 2.51 7.21 -40.87 2 5 1 50 331.465 5
Hi High (pH 8-9.5) 3.07 3.94 -8.75 1 5 0 52 330.457 4
Mid Mid (pH 6-8) 3.07 6.43 -32.56 2 5 1 53 331.465 4
Mid Mid (pH 6-8) 2.33 6.3 -34.12 1 5 0 56 330.457 5
Mid Mid (pH 6-8) 2.33 6.27 -50.47 1 5 0 56 330.457 5

Activity (Go SEA)

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