UCSF

ZINC37806210

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) -1.13 -0.66 -49.46 3 7 1 72 298.411 5
Hi High (pH 8-9.5) -1.13 -2.02 -14.73 2 7 0 68 297.403 5
Mid Mid (pH 6-8) -1.13 1.47 -96.42 4 7 2 74 299.419 5

Activity (Go SEA)

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