UCSF

ZINC35512240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 5.47 12.63 -14.14 1 6 0 58 472.976 5
Mid Mid (pH 6-8) 5.47 13.1 -43.88 2 6 1 59 473.984 5

Activity (Go SEA)

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