UCSF

ZINC45643227

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 25 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) 1.28 4.17 -43.39 2 8 1 80 366.467 6
Hi High (pH 8-9.5) 1.28 4.36 -16.73 1 8 0 79 365.459 6

Activity (Go SEA)

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