UCSF

ZINC41668092

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.52 6.38 -11.77 0 6 0 55 420.509 5
Mid Mid (pH 6-8) 3.52 9.22 -55.95 1 6 1 56 421.517 5
Mid Mid (pH 6-8) 3.52 8.65 -50.58 1 6 1 56 421.517 5
Lo Low (pH 4.5-6) 3.52 11.5 -131.06 2 6 2 58 422.525 5

Activity (Go SEA)

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