UCSF

ZINC36125462

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.23 7.03 -40.83 1 4 1 38 251.35 3
Mid Mid (pH 6-8) 2.23 5.37 -7.36 0 4 0 37 250.342 3

Activity (Go SEA)

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