UCSF

ZINC37839379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) -0.69 5.81 -20.29 0 5 0 58 268.235 6
Mid Mid (pH 6-8) 0.06 4.75 -56.55 0 5 -1 64 267.227 5

Activity (Go SEA)

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