UCSF

ZINC49706754

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) 2.21 7.92 -20.84 1 5 0 56 365.408 4
Mid Mid (pH 6-8) 2.21 10.07 -56.06 2 5 1 58 366.416 4

Activity (Go SEA)

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