UCSF

ZINC35315156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 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) 3.23 0.04 -14.41 1 9 0 107 476.58 9
Hi High (pH 8-9.5) 3.23 0.16 -44.6 0 9 -1 109 475.572 9
Mid Mid (pH 6-8) 3.23 2.3 -51.31 2 9 1 108 477.588 9

Activity (Go SEA)

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