UCSF

ZINC35047622

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 2.71 9.22 -42.82 2 2 1 16 309.474 4
Mid Mid (pH 6-8) 2.71 8.07 -47.19 2 2 1 20 309.474 4

Activity (Go SEA)

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