UCSF

ZINC42978001

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) 3.47 10.74 -48.72 1 3 1 25 303.813 5
Mid Mid (pH 6-8) 3.47 8.48 -10.91 0 3 0 24 302.805 5

Activity (Go SEA)

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