UCSF

ZINC36203993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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 8.62 -17.5 1 7 0 85 427.526 7
Mid Mid (pH 6-8) 3.44 10.86 -62.34 2 7 1 86 428.534 7

Activity (Go SEA)

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