UCSF

ZINC36132733

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 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) 3.44 5.6 -8.93 0 5 0 50 380.897 4
Mid Mid (pH 6-8) 3.44 7.61 -47.54 1 5 1 51 381.905 4

Activity (Go SEA)

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