UCSF

ZINC13207500

Substance Information

In ZINC since Heavy atoms Benign functionality
June 11th, 2008 33 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) 6.21 14.76 -10.76 0 5 0 46 481.379 7
Mid Mid (pH 6-8) 6.21 15.26 -42.24 1 5 1 47 482.387 7

Activity (Go SEA)

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