UCSF

ZINC10104797

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 31 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) 4.91 2.29 -11.51 0 7 0 65 415.497 3
Mid Mid (pH 6-8) 4.91 2.53 -31.84 1 7 1 66 416.505 3

Activity (Go SEA)

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