UCSF

ZINC79655710

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2012 18 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) 4.65 6.47 -7.11 1 2 0 33 259.374 1
Hi High (pH 8-9.5) 4.65 7.24 -50.53 0 2 -1 36 258.366 1

Activity (Go SEA)

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