UCSF

ZINC25393164

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 35 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) 4.41 12.46 -50.75 3 6 1 75 492.665 10
Mid Mid (pH 6-8) 4.41 13.39 -46.29 3 6 1 72 492.665 10
Mid Mid (pH 6-8) 4.41 11.16 -11.76 2 6 0 71 491.657 10
Lo Low (pH 4.5-6) 4.41 14.78 -97.86 4 6 2 76 493.673 10

Activity (Go SEA)

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