UCSF

ZINC37054350

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.21 1.29 -48.83 2 5 -1 87 268.343 3
Mid Mid (pH 6-8) 2.14 1.85 -14.93 3 5 0 88 269.351 2
Lo Low (pH 4.5-6) 2.14 1.71 -57.79 4 5 1 90 270.359 2

Activity (Go SEA)

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