UCSF

ZINC36613311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 30 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) 2.91 12.07 -48.05 1 6 1 55 404.538 3
Mid Mid (pH 6-8) 2.91 9.82 -10.21 0 6 0 54 403.53 3

Activity (Go SEA)

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