UCSF

ZINC37351602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 5.10 9.48 -5.58 2 3 0 44 303.837 3
Mid Mid (pH 6-8) 5.10 9.53 -30.86 3 3 1 45 304.845 3

Activity (Go SEA)

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