UCSF

ZINC34473278

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 No

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) 3.77 10.52 -54.12 2 5 1 54 381.496 6
Hi High (pH 8-9.5) 3.77 8.27 -13.94 1 5 0 53 380.488 6

Activity (Go SEA)

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