UCSF

ZINC37049827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.11 0.53 -47.75 4 5 1 70 295.403 6
Hi High (pH 8-9.5) 1.11 0.13 -7.28 3 5 0 68 294.395 6
Mid Mid (pH 6-8) 1.11 2.84 -92.62 5 5 2 71 296.411 6

Activity (Go SEA)

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