UCSF

ZINC39855921

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

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) 4.13 8.94 -34.59 6 7 1 118 423.324 4
Hi High (pH 8-9.5) 4.13 8.91 -12.86 5 7 0 117 422.316 4

Activity (Go SEA)

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