UCSF

ZINC59602848

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 27 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) 2.90 5.82 -269.85 9 5 4 78 385.685 8
Hi High (pH 8-9.5) 2.90 3.56 -79.91 7 5 2 69 383.669 8
Mid Mid (pH 6-8) 2.90 5.65 -254.8 9 5 4 78 385.685 8
Lo Low (pH 4.5-6) 2.90 7 -423.66 10 5 5 83 386.693 8

Activity (Go SEA)

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