UCSF

ZINC37800741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 14 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) -1.35 1.3 -45.34 3 5 1 66 197.262 3
Hi High (pH 8-9.5) -1.35 0.97 -14.03 2 5 0 64 196.254 3

Activity (Go SEA)

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