UCSF

ZINC34668107

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 31 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) 3.58 9.59 -11.46 1 5 0 48 414.553 6
Mid Mid (pH 6-8) 3.58 11.82 -51.72 2 5 1 50 415.561 6
Lo Low (pH 4.5-6) 3.58 12.23 -93.38 3 5 2 51 416.569 6

Activity (Go SEA)

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