UCSF

ZINC45753847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 24 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) 2.47 7.72 -36.12 2 5 1 61 327.452 4
Hi High (pH 8-9.5) 2.47 5.55 -7.11 1 5 0 59 326.444 4

Activity (Go SEA)

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