UCSF

ZINC46721710

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 21 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) 3.04 7.97 -39.47 2 4 1 43 305.423 6
Hi High (pH 8-9.5) 3.04 5.45 -9.28 1 4 0 42 304.415 6

Activity (Go SEA)

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