UCSF

ZINC60275262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 23 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) 2.58 6.81 -239.86 7 4 3 64 327.581 10
Mid Mid (pH 6-8) 2.58 6.41 -103.87 6 4 2 62 326.573 10
Lo Low (pH 4.5-6) 2.58 8.32 -388.79 8 4 4 65 328.589 10
Lo Low (pH 4.5-6) 2.58 7.24 -217.97 7 4 3 61 327.581 10

Activity (Go SEA)

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