UCSF

ZINC24987173

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 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) 1.42 5.66 -43.76 4 7 1 91 404.441 3
Hi High (pH 8-9.5) 1.42 5.18 -14.55 3 7 0 90 403.433 3
Mid Mid (pH 6-8) 1.42 6.37 -54.29 4 7 1 95 404.441 3

Activity (Go SEA)

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