UCSF

ZINC39912525

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 38 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) 5.51 12.04 -17.36 2 7 0 88 515.585 8
Hi High (pH 8-9.5) 5.28 12.59 -45.84 0 7 -1 87 514.577 8
Hi High (pH 8-9.5) 5.28 12.29 -58.8 0 7 -1 87 514.577 8
Hi High (pH 8-9.5) 5.51 13.18 -40.02 1 7 -1 91 514.577 8

Activity (Go SEA)

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