UCSF

ZINC34685948

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.25 6.48 -13.01 0 7 0 54 409.486 4
Mid Mid (pH 6-8) 2.25 8.74 -53.62 1 7 1 56 410.494 4

Activity (Go SEA)

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