UCSF

ZINC37051694

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) 0.66 4.35 -41.05 2 5 1 47 293.435 4
Hi High (pH 8-9.5) 0.66 3.2 -6.8 1 5 0 42 292.427 4
Lo Low (pH 4.5-6) 0.66 6.26 -118.17 3 5 2 48 294.443 4

Activity (Go SEA)

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