UCSF

ZINC37793197

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.59 1.56 -47.22 1 6 -1 82 243.283 6
Mid Mid (pH 6-8) -0.59 3.95 -67.09 2 6 0 83 244.291 6
Lo Low (pH 4.5-6) -0.59 1.97 -44.45 3 6 1 80 245.299 6

Activity (Go SEA)

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