UCSF

ZINC37824324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.37 5.52 -96.24 4 4 2 52 267.417 2
Mid Mid (pH 6-8) 1.37 5.29 -35.97 3 4 1 51 266.409 2

Activity (Go SEA)

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