UCSF

ZINC39911729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 4.21 7.97 -11.94 2 7 0 88 435.524 8
Hi High (pH 8-9.5) 3.98 8.53 -46.18 0 7 -1 87 434.516 8
Hi High (pH 8-9.5) 3.98 8.31 -54.62 0 7 -1 87 434.516 8
Hi High (pH 8-9.5) 4.21 9.04 -40.37 1 7 -1 91 434.516 8

Activity (Go SEA)

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