UCSF

ZINC46511794

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2010 18 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) 0.67 4.12 -40.12 2 5 1 52 257.354 4
Mid Mid (pH 6-8) 0.67 1.9 -9.12 1 5 0 51 256.346 4

Activity (Go SEA)

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