UCSF

ZINC57681710

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 26 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) 4.00 9.51 -40.26 2 4 1 35 355.502 9
Hi High (pH 8-9.5) 4.00 7.45 -5.54 1 4 0 34 354.494 9
Mid Mid (pH 6-8) 4.00 8.73 -46.26 2 4 1 38 355.502 9
Lo Low (pH 4.5-6) 4.00 10.8 -127.97 3 4 2 40 356.51 9

Activity (Go SEA)

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