UCSF

ZINC42902469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.24 3.64 -101.6 5 3 2 52 266.429 8
Mid Mid (pH 6-8) 2.24 3.34 -26.08 4 3 1 51 265.421 8
Mid Mid (pH 6-8) 2.24 3.14 -36.59 4 3 1 51 265.421 8

Activity (Go SEA)

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