UCSF

ZINC09109800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 24 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) 2.16 6.37 -46.93 1 6 -1 73 343.432 3
Lo Low (pH 4.5-6) 1.70 8.2 -9.19 2 6 0 70 344.44 3

Activity (Go SEA)

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