UCSF

ZINC35725435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 4.92 10.58 -30.08 1 7 0 92 499.017 5
Hi High (pH 8-9.5) 5.10 7.88 -66.66 0 7 -1 99 498.009 5

Activity (Go SEA)

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