UCSF

ZINC44243200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 15 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) -0.19 -1.09 -14.82 3 5 0 85 310.198 4
Hi High (pH 8-9.5) -0.19 -1.35 -39.22 2 5 -1 87 309.19 4

Activity (Go SEA)

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