UCSF

ZINC09209906

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 31 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) 5.80 2.61 -12.85 0 5 0 63 430.891 3
Lo Low (pH 4.5-6) 5.80 2.77 -32.9 1 5 1 64 431.899 3

Activity (Go SEA)

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