UCSF

ZINC12026777

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 34 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) 3.00 7.82 -56.67 2 8 1 97 486.614 7
Hi High (pH 8-9.5) 3.00 5.75 -25.05 1 8 0 96 485.606 7

Activity (Go SEA)

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