UCSF

ZINC37852249

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.64 0.42 -5.34 2 5 0 54 300.443 8
Mid Mid (pH 6-8) 0.64 1.82 -44.24 3 5 1 59 301.451 8
Lo Low (pH 4.5-6) 0.64 2.68 -37.81 3 5 1 55 301.451 8

Activity (Go SEA)

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