UCSF

ZINC39911501

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 4.50 7.08 -19.05 3 8 0 108 479.577 10
Hi High (pH 8-9.5) 4.27 7.64 -49.36 1 8 -1 107 478.569 10
Hi High (pH 8-9.5) 4.27 7.36 -62.03 1 8 -1 107 478.569 10
Hi High (pH 8-9.5) 4.50 8.22 -44.03 2 8 -1 111 478.569 10

Activity (Go SEA)

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