UCSF

ZINC26649998

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 26 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) -5.32 4.26 -190.58 7 13 -2 242 373.322 13
Lo Low (pH 4.5-6) -5.32 0.38 -146.61 8 13 -1 239 374.33 13
Lo Low (pH 4.5-6) -5.32 0.39 -127.78 8 13 -1 239 374.33 13
Lo Low (pH 4.5-6) -5.35 2.32 -133.72 8 13 -1 242 374.33 12
Lo Low (pH 4.5-6) -5.35 2.36 -115.81 8 13 -1 242 374.33 12

Activity (Go SEA)

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