UCSF

ZINC37074164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.17 4.33 -38.34 2 5 1 61 238.311 4
Mid Mid (pH 6-8) 0.17 3.86 -9.02 1 5 0 56 237.303 4
Lo Low (pH 4.5-6) 0.17 4.5 -97.74 3 5 2 62 239.319 4

Activity (Go SEA)

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