UCSF

ZINC37875998

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 19 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) 1.13 5.67 -105.67 4 4 2 45 267.417 9
Mid Mid (pH 6-8) 1.13 6.22 -46.18 3 4 1 47 266.409 9

Activity (Go SEA)

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