UCSF

ZINC43415651

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.53 6.36 -55.8 4 5 1 83 275.376 7
Mid Mid (pH 6-8) 1.53 4.5 -11.99 3 5 0 82 274.368 7

Activity (Go SEA)

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