UCSF

ZINC48991640

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 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) 1.41 6.23 -95.92 4 3 2 35 261.413 4
Mid Mid (pH 6-8) 1.41 3.99 -43.55 3 3 1 34 260.405 4

Activity (Go SEA)

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