UCSF

ZINC44242058

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 2.35 6.23 -61.65 1 4 0 33 258.416 2
Mid Mid (pH 6-8) 2.35 4.16 -40.92 0 4 -1 32 257.408 2

Activity (Go SEA)

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