UCSF

ZINC37831640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.29 6.67 -63.21 1 5 0 65 238.287 2
Mid Mid (pH 6-8) 0.29 4.54 -54.16 0 5 -1 64 237.279 2
Lo Low (pH 4.5-6) 0.29 4.72 -48.23 2 5 1 62 239.295 2

Activity (Go SEA)

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