UCSF

ZINC19834055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 16 No

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) 1.68 4.58 -45.05 4 4 1 63 242.73 5
Hi High (pH 8-9.5) 1.68 2.19 -7.86 3 4 0 62 241.722 5

Activity (Go SEA)

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