UCSF

ZINC36755460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 26 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) 3.54 8.73 -48.32 2 5 1 46 419.343 6
Mid Mid (pH 6-8) 3.54 6.53 -10.12 1 5 0 45 418.335 6

Activity (Go SEA)

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