UCSF

ZINC49737652

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 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) 3.45 7.67 -44.89 2 4 1 37 383.354 6
Hi High (pH 8-9.5) 3.45 6.32 -8.4 1 4 0 36 382.346 6
Mid Mid (pH 6-8) 3.45 8.13 -44.01 2 4 1 37 383.354 6

Activity (Go SEA)

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