UCSF

ZINC34889168

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 37 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) 8.37 17.72 -26.34 2 5 1 57 510.58 9
Mid Mid (pH 6-8) 8.37 17.97 -15.42 1 5 0 56 509.572 9
Mid Mid (pH 6-8) 8.37 17.8 -37.02 2 5 1 60 510.58 9
Lo Low (pH 4.5-6) 8.37 17.97 -87.14 3 5 2 61 511.588 9

Activity (Go SEA)

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