UCSF

ZINC39898608

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.85 10.98 -9.21 2 5 0 69 437.971 7
Hi High (pH 8-9.5) 6.85 11.93 -34.61 1 5 -1 72 436.963 7

Activity (Go SEA)

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