UCSF

ZINC36853654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 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) -2.28 -3.85 -50.54 5 5 1 86 172.208 4
Mid Mid (pH 6-8) -2.10 -5.06 -94.22 5 5 1 97 172.208 4

Activity (Go SEA)

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