UCSF

ZINC09193238

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 33 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) 6.05 14.68 -13.02 0 5 0 63 458.945 3
Lo Low (pH 4.5-6) 6.05 3.24 -30.7 1 5 1 64 459.953 3

Activity (Go SEA)

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