UCSF

ZINC36125638

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 3.59 5.89 -7.68 0 4 0 41 330.519 5
Mid Mid (pH 6-8) 3.59 7.42 -42.76 1 4 1 42 331.527 5

Activity (Go SEA)

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