UCSF

ZINC46084848

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2010 34 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) 6.28 11.04 -16.31 2 7 0 93 457.53 7
Hi High (pH 8-9.5) 6.28 12.04 -63.48 1 7 -1 96 456.522 7
Hi High (pH 8-9.5) 6.28 11.87 -68.46 1 7 -1 96 456.522 7

Activity (Go SEA)

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