UCSF

ZINC31959768

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.88 2.71 -60.8 4 6 1 88 308.383 5
Hi High (pH 8-9.5) 1.44 1.63 -14.64 3 6 0 90 307.375 4
Mid Mid (pH 6-8) 0.70 1.64 -48.63 3 6 0 94 307.375 5

Activity (Go SEA)

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