UCSF

ZINC35673745

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.79 5.43 -63.52 4 6 0 109 293.367 9
Mid Mid (pH 6-8) 1.79 5.11 -52.18 3 6 -1 108 292.359 9
Lo Low (pH 4.5-6) 1.79 3.45 -36.29 5 6 1 107 294.375 9

Activity (Go SEA)

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