UCSF

ZINC09160182

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 29 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) 6.52 9.85 -6.91 2 4 0 58 429.278 5
Ref Reference (pH 7) 6.52 9.8 -8.45 2 4 0 58 429.278 5
Hi High (pH 8-9.5) 6.52 10.58 -39.19 1 4 -1 61 428.27 5
Hi High (pH 8-9.5) 6.52 10.57 -50.72 1 4 -1 61 428.27 5

Activity (Go SEA)

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