UCSF

ZINC34678242

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 3.08 5.57 -46.06 2 7 1 72 415.558 10
Mid Mid (pH 6-8) 3.08 5.59 -46.42 2 7 1 72 415.558 10
Mid Mid (pH 6-8) 3.08 3.32 -8.83 1 7 0 71 414.55 10

Activity (Go SEA)

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