UCSF

ZINC37860182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.74 7.74 -182.98 5 4 3 46 300.511 9
Hi High (pH 8-9.5) 1.74 6.33 -78.64 4 4 2 41 299.503 9
Mid Mid (pH 6-8) 1.74 8.23 -99.53 4 4 2 49 299.503 9

Activity (Go SEA)

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