UCSF

ZINC61818841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 19 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) 3.51 7.82 -123.58 4 2 2 32 266.473 2
Mid Mid (pH 6-8) 3.51 7.35 -27.87 3 2 1 30 265.465 2

Activity (Go SEA)

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