UCSF

ZINC43260369

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 33 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) -4.66 -0.63 -381.24 5 18 -4 301 529.188 8
Mid Mid (pH 6-8) -4.66 -1.78 -242.74 6 18 -3 298 530.196 8

Activity (Go SEA)

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