UCSF

ZINC49719479

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 27 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) 4.07 10 -9.29 0 4 0 33 366.505 7
Mid Mid (pH 6-8) 4.07 12.15 -47.73 1 4 1 34 367.513 7

Activity (Go SEA)

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