UCSF

ZINC59899413

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 16 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) 1.96 5.07 -9.36 1 4 0 48 239.296 7
Hi High (pH 8-9.5) 2.00 4.3 -39.28 0 4 -1 48 238.288 6
Hi High (pH 8-9.5) 2.00 5.05 -10.07 1 4 0 50 239.296 6

Activity (Go SEA)

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