UCSF

ZINC44419673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) -0.70 3.68 -53.74 3 6 1 86 260.321 3
Mid Mid (pH 6-8) -0.70 2.39 -12.15 2 6 0 81 259.313 3

Activity (Go SEA)

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