UCSF

ZINC00698897

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 32 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) 1.38 7.16 -15.52 0 8 0 75 439.512 4
Mid Mid (pH 6-8) 1.38 9.38 -54.53 1 8 1 77 440.52 4

Activity (Go SEA)

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