UCSF

ZINC36980437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 4.37 9.19 -41.17 2 3 1 43 329.258 7
Mid Mid (pH 6-8) 4.37 8.17 -4.74 1 3 0 38 328.25 7

Activity (Go SEA)

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