UCSF

ZINC12022010

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 2.25 7.25 -53.72 2 8 1 91 459.592 7
Hi High (pH 8-9.5) 2.25 4.75 -20.76 1 8 0 90 458.584 7

Activity (Go SEA)

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