UCSF

ZINC43609032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 29 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) 2.93 11.52 -34.01 1 5 1 51 388.491 3
Mid Mid (pH 6-8) 2.93 11.89 -99.53 2 5 2 52 389.499 3

Activity (Go SEA)

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