UCSF

ZINC37818594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.07 -2.13 -42.3 5 7 1 107 312.419 5
Hi High (pH 8-9.5) -1.07 -2.46 -14.79 4 7 0 106 311.411 5
Mid Mid (pH 6-8) -1.07 0.12 -99.82 6 7 2 108 313.427 5

Activity (Go SEA)

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