UCSF

ZINC34981512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.26 7.39 -6.41 0 3 0 30 275.392 3
Lo Low (pH 4.5-6) 3.26 9.29 -39.56 1 3 1 31 276.4 3

Activity (Go SEA)

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