UCSF

ZINC19668831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) 1.96 2.03 -41.41 3 4 1 49 306.213 5
Hi High (pH 8-9.5) 1.96 0.71 -6.2 2 4 0 45 305.205 5
Lo Low (pH 4.5-6) 1.96 4.6 -124.23 4 4 2 51 307.221 5

Activity (Go SEA)

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