UCSF

ZINC41443388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 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) 0.23 2.21 -39.8 2 6 1 63 278.38 6
Hi High (pH 8-9.5) 0.23 -0.06 -8.65 1 6 0 61 277.372 6
Mid Mid (pH 6-8) 0.23 2.21 -43.13 2 6 1 63 278.38 6

Activity (Go SEA)

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