UCSF

ZINC52874540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 26 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) 1.74 4.43 -15.26 3 7 0 91 366.368 4
Hi High (pH 8-9.5) 1.93 2.96 -50.92 2 7 -1 97 365.36 4

Activity (Go SEA)

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