UCSF

ZINC33771580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 4.68 13.86 -72.64 1 8 0 93 524.658 15
Hi High (pH 8-9.5) 4.68 11.55 -56.86 0 8 -1 91 523.65 15
Lo Low (pH 4.5-6) 4.68 12.57 -61.35 2 8 1 90 525.666 15

Activity (Go SEA)

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