UCSF

ZINC36986722

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 0.28 5.71 -14.78 0 4 0 64 242.326 7
Lo Low (pH 4.5-6) 0.28 6.17 -42.13 1 4 1 65 243.334 7

Activity (Go SEA)

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