UCSF

ZINC34941355

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 3.06 5.9 -60.5 1 9 -1 112 509.579 11
Mid Mid (pH 6-8) 3.06 8.17 -76.79 2 9 0 113 510.587 11
Lo Low (pH 4.5-6) 3.06 7.41 -60.51 3 9 1 110 511.595 11

Activity (Go SEA)

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