UCSF

ZINC12320876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 25 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) 4.08 13.65 -108.92 2 3 2 22 343.559 7
Lo Low (pH 4.5-6) 4.08 13.94 -192.19 3 3 3 23 344.567 7

Activity (Go SEA)

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