UCSF

ZINC35034490

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 4.49 13.18 -53.4 2 7 1 72 488.534 6
Mid Mid (pH 6-8) 4.49 11.57 -14.47 1 7 0 70 487.526 6

Activity (Go SEA)

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