UCSF

ZINC33746596

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 3.58 12.25 -63.61 1 6 0 78 435.568 9
Hi High (pH 8-9.5) 3.58 10.04 -51.78 0 6 -1 77 434.56 9
Lo Low (pH 4.5-6) 3.58 10.96 -52.18 2 6 1 75 436.576 9

Activity (Go SEA)

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