UCSF

ZINC41476431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 2.21 10.84 -44.31 1 6 1 51 327.387 3
Mid Mid (pH 6-8) 2.21 8.6 -8.04 0 6 0 50 326.379 3

Activity (Go SEA)

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