UCSF

ZINC35024532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) -6.27 6.27 -184.92 9 13 -2 270 523.587 19
Hi High (pH 8-9.5) -6.27 6.65 -180.27 10 13 -1 272 524.595 19
Hi High (pH 8-9.5) -6.27 6.95 -199.39 11 13 0 273 525.603 19
Mid Mid (pH 6-8) -6.27 7.26 -227.99 12 13 1 275 526.611 19

Activity (Go SEA)

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