UCSF

ZINC28648912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 35 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) 4.65 10.31 -17.25 1 7 0 84 498.693 8
Lo Low (pH 4.5-6) 4.65 10.71 -41.81 2 7 1 86 499.701 8

Activity (Go SEA)

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