UCSF

ZINC35178576

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 35 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) 5.90 17.24 -25.54 2 7 1 83 480.629 12
Mid Mid (pH 6-8) 5.90 16.95 -16.23 1 7 0 82 479.621 12
Mid Mid (pH 6-8) 5.90 17.12 -36.92 2 7 1 87 480.629 12
Lo Low (pH 4.5-6) 5.90 17.06 -84.16 3 7 2 88 481.637 12

Activity (Go SEA)

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