UCSF

ZINC59384298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 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) 4.13 9.36 -45.66 2 4 1 43 344.475 10
Hi High (pH 8-9.5) 4.13 7.01 -8.65 1 4 0 42 343.467 10

Activity (Go SEA)

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