UCSF

ZINC37997395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 3.29 6.02 -43.78 3 2 1 37 311.174 4
Mid Mid (pH 6-8) 3.29 4.61 -4.97 2 2 0 32 310.166 4

Activity (Go SEA)

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