UCSF

ZINC42915478

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.23 2.86 -117.99 6 4 2 75 283.391 7
Hi High (pH 8-9.5) 1.23 1.38 -55.59 5 4 1 74 282.383 7
Mid Mid (pH 6-8) 1.23 2.58 -36.65 5 4 1 74 282.383 7

Activity (Go SEA)

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