UCSF

ZINC37351182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 4.97 9.37 -26.01 3 3 1 45 313.252 5
Mid Mid (pH 6-8) 4.97 9.26 -7.04 2 3 0 44 312.244 5

Activity (Go SEA)

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