UCSF

ZINC42907574

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.77 4.33 -59.22 4 4 1 73 262.358 4
Hi High (pH 8-9.5) 2.23 1.91 -48.51 2 4 -1 75 260.342 4
Mid Mid (pH 6-8) 2.23 2.48 -67.56 3 4 0 76 261.35 4

Activity (Go SEA)

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