UCSF

ZINC34958522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 1.26 3.07 -46.38 3 4 1 63 244.318 6
Hi High (pH 8-9.5) 1.26 2.66 -7.44 2 4 0 61 243.31 6
Lo Low (pH 4.5-6) 1.26 3.53 -88.19 4 4 2 64 245.326 6

Activity (Go SEA)

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