UCSF

ZINC00201063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

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) 2.41 -0.87 -15.14 1 4 0 46 257.337 6
Mid Mid (pH 6-8) -1.00 -0.7 -34.75 2 4 1 48 258.345 6

Activity (Go SEA)

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