UCSF

ZINC16741357

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 2.79 6.35 -14.25 2 7 0 96 437.492 11
Mid Mid (pH 6-8) 2.20 7.06 -18.41 1 7 0 93 437.492 11

Activity (Go SEA)

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