UCSF

ZINC09423002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 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) 2.64 8.26 -22 1 7 0 87 416.481 5
Lo Low (pH 4.5-6) 2.64 10.72 -46.5 2 7 1 89 417.489 5
Lo Low (pH 4.5-6) 2.64 10.52 -47.14 2 7 1 89 417.489 5

Activity (Go SEA)

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