UCSF

ZINC37855910

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.44 3.89 -95.8 4 3 2 41 204.358 8
Mid Mid (pH 6-8) 1.44 4.46 -37.39 3 3 1 44 203.35 8

Activity (Go SEA)

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