UCSF

ZINC38549946

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 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) 5.79 13.39 -41.11 1 3 1 23 390.547 3
Mid Mid (pH 6-8) 5.79 11.02 -6.3 0 3 0 22 389.539 3

Activity (Go SEA)

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