UCSF

ZINC08591063

Substance Information

In ZINC since Heavy atoms Benign functionality
June 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) 4.26 10.72 -11.64 2 7 0 85 434.809 4
Lo Low (pH 4.5-6) 4.43 10.56 -41.66 3 7 1 90 435.817 4

Activity (Go SEA)

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