UCSF

ZINC45687747

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.54 6.94 -55.26 2 5 1 76 263.317 9
Hi High (pH 8-9.5) 1.54 5.59 -11.34 1 5 0 71 262.309 9

Activity (Go SEA)

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