UCSF

ZINC41567362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 1.65 5.85 -8.99 1 6 0 81 303.343 6
Hi High (pH 8-9.5) 1.72 4.34 -45.57 0 6 -1 88 302.335 6

Activity (Go SEA)

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