UCSF

ZINC36619617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) -0.88 6.61 -124.16 0 7 -2 110 303.27 5
Mid Mid (pH 6-8) -0.88 5.68 -52.65 1 7 -1 107 304.278 5

Activity (Go SEA)

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