UCSF

ZINC59335058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 30 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) 4.58 10.98 -18.86 1 8 0 121 403.394 6
Hi High (pH 8-9.5) 4.76 8.71 -52.66 0 8 -1 127 402.386 6

Activity (Go SEA)

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