UCSF

ZINC38238761

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 27 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) 3.60 7.83 -46.96 0 6 -1 86 382.465 6
Lo Low (pH 4.5-6) 3.60 7.65 -14.38 1 6 0 84 383.473 6

Activity (Go SEA)

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