UCSF

ZINC37123534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 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) 3.61 10.24 -7.15 1 3 0 30 257.381 7
Mid Mid (pH 6-8) 3.61 10.75 -32.55 2 3 1 31 258.389 7

Activity (Go SEA)

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