UCSF

ZINC20461459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 36 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) 3.52 12.55 -74.55 1 7 0 87 485.584 11
Hi High (pH 8-9.5) 3.52 10.25 -56.74 0 7 -1 86 484.576 11
Lo Low (pH 4.5-6) 3.52 11.73 -58.2 2 7 1 84 486.592 11

Activity (Go SEA)

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