UCSF

ZINC36754343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

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) -1.00 0.43 -77.18 4 6 0 100 243.307 6
Lo Low (pH 4.5-6) -1.00 -1.54 -49.32 5 6 1 97 244.315 6
Lo Low (pH 4.5-6) -1.00 2.61 -125.64 5 6 1 101 244.315 6

Activity (Go SEA)

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