UCSF

ZINC35017077

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.15 7.38 -14.19 3 7 0 89 397.522 10
Mid Mid (pH 6-8) 2.40 6.31 -38.17 2 7 -1 95 396.514 9

Activity (Go SEA)

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