UCSF

ZINC62954791

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.73 6.65 -31.35 2 4 1 42 280.417 3
Mid Mid (pH 6-8) 2.73 6.24 -11.93 1 4 0 41 279.409 3

Activity (Go SEA)

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