UCSF

ZINC62352102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 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) 4.05 9.4 -41.96 3 5 1 49 345.511 5
Hi High (pH 8-9.5) 4.05 7.25 -9.2 2 5 0 48 344.503 5

Activity (Go SEA)

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