UCSF

ZINC14920643

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 32 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) 6.06 12.63 -10.31 0 4 0 38 427.523 5
Ref Reference (pH 7) 6.06 12.89 -8.86 0 4 0 38 427.523 5
Mid Mid (pH 6-8) 6.06 14.93 -47.44 1 4 1 39 428.531 5

Activity (Go SEA)

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