UCSF

ZINC36237905

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 4.38 11.45 -47.33 2 4 1 37 383.519 4
Hi High (pH 8-9.5) 4.38 11.73 -10.71 1 4 0 33 382.511 4
Mid Mid (pH 6-8) 4.38 12.03 -82.06 3 4 2 38 384.527 4

Activity (Go SEA)

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