UCSF

ZINC09193037

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 30 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) 4.35 11.11 -10.31 0 6 0 73 418.836 3
Lo Low (pH 4.5-6) 4.35 2.01 -36.04 1 6 1 73 419.844 3

Activity (Go SEA)

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