UCSF

ZINC45651017

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.15 2.07 -31.27 3 3 1 37 201.334 5
Lo Low (pH 4.5-6) 1.15 0.81 -32.69 3 3 1 40 201.334 5
Lo Low (pH 4.5-6) 1.15 3.2 -100.47 4 3 2 41 202.342 5

Activity (Go SEA)

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