UCSF

ZINC09087605

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.66 8.84 -28.05 2 5 0 71 303.321 2
Hi High (pH 8-9.5) 3.57 6.36 -142.08 0 5 -2 77 301.305 2
Mid Mid (pH 6-8) 3.57 5.57 -52.93 1 5 -1 74 302.313 2

Activity (Go SEA)

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