UCSF

ZINC12026140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 31 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) 2.56 7.1 -61.64 2 7 1 88 448.54 8
Hi High (pH 8-9.5) 2.56 5.35 -24.87 1 7 0 87 447.532 8

Activity (Go SEA)

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