UCSF

ZINC62127679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 23 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) 1.00 4.48 -10.96 0 6 0 53 325.453 5
Mid Mid (pH 6-8) 1.00 6.74 -46.34 1 6 1 54 326.461 5

Activity (Go SEA)

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