UCSF

ZINC42947070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 2.51 4.84 -126.18 6 4 2 75 313.873 9
Hi High (pH 8-9.5) 2.51 4.51 -40.23 5 4 1 74 312.865 9
Mid Mid (pH 6-8) 2.51 3.48 -55.35 5 4 1 74 312.865 9

Activity (Go SEA)

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