UCSF

ZINC33942169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 26 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) 3.88 7.84 -12 2 5 0 79 356.466 5
Hi High (pH 8-9.5) 3.88 8.97 -59.75 1 5 -1 82 355.458 5
Hi High (pH 8-9.5) 3.88 8.24 -49.69 1 5 -1 82 355.458 5

Activity (Go SEA)

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