UCSF

ZINC12575955

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 27 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) 3.08 8.01 -19.89 1 7 0 78 384.461 6
Mid Mid (pH 6-8) 3.08 8.31 -40.16 2 7 1 80 385.469 6

Activity (Go SEA)

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