UCSF

ZINC38406960

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2010 20 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) -0.20 3.53 -17.62 1 6 0 69 274.324 4
Mid Mid (pH 6-8) 0.26 2.98 -51.35 1 6 0 74 274.324 4

Activity (Go SEA)

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