UCSF

ZINC01200256

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 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) 1.46 7.15 -15.22 1 4 0 51 292.385 2
Hi High (pH 8-9.5) 1.98 5.36 -53.74 0 4 -1 57 291.377 2

Activity (Go SEA)

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