UCSF

ZINC37799611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -1.66 -1.84 -48.3 4 7 1 90 285.368 5
Hi High (pH 8-9.5) -1.66 -2.24 -10.17 3 7 0 88 284.36 5
Mid Mid (pH 6-8) -1.66 0.44 -94.51 5 7 2 91 286.376 5

Activity (Go SEA)

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