UCSF

ZINC44685243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.97 7.81 -40.46 2 5 1 62 262.333 5
Hi High (pH 8-9.5) 1.97 5.42 -6.86 1 5 0 61 261.325 5
Lo Low (pH 4.5-6) 1.97 9.06 -133.56 3 5 2 67 263.341 5

Activity (Go SEA)

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