UCSF

ZINC39864867

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.35 7.33 -10.16 1 5 0 67 343.433 4
Hi High (pH 8-9.5) 4.35 8.11 -43.1 0 5 -1 70 342.425 4

Activity (Go SEA)

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