UCSF

ZINC34932775

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 4.54 11.78 -45.14 1 4 1 42 385.553 8
Hi High (pH 8-9.5) 4.54 9.58 -9.17 0 4 0 41 384.545 8

Activity (Go SEA)

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