UCSF

ZINC44243284

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.55 1.64 -39.7 1 6 -1 94 369.22 4
Lo Low (pH 4.5-6) 2.55 1.61 -10.49 2 6 0 92 370.228 4

Activity (Go SEA)

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