UCSF

ZINC35807929

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 3.38 6.18 -14.5 1 7 0 73 507.534 11
Mid Mid (pH 6-8) 3.38 8.44 -67.8 2 7 1 74 508.542 11

Activity (Go SEA)

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