UCSF

ZINC36125471

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 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) 2.64 8.79 -45.94 1 3 1 25 279.379 3
Mid Mid (pH 6-8) 2.64 7.07 -9 0 3 0 24 278.371 3

Activity (Go SEA)

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