UCSF

ZINC36206602

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.11 5.89 -15.45 2 7 0 88 443.569 11
Mid Mid (pH 6-8) 3.11 8.1 -53.48 3 7 1 89 444.577 11

Activity (Go SEA)

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