UCSF

ZINC05010614

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 21 No

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) 1.27 7.55 -19.38 2 4 0 59 299.399 2
Mid Mid (pH 6-8) 3.92 6.88 -64.94 2 4 -1 67 298.391 2

Activity (Go SEA)

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