UCSF

ZINC42915549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.14 2.44 -46.08 4 3 1 51 283.411 8
Mid Mid (pH 6-8) 2.14 3.64 -36.85 4 3 1 51 283.411 8

Activity (Go SEA)

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