UCSF

ZINC36238162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 24 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) 1.91 6.81 -46.03 2 5 1 50 322.436 3
Mid Mid (pH 6-8) 1.91 7.21 -80.38 3 5 2 51 323.444 3

Activity (Go SEA)

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