UCSF

ZINC34992054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.94 11.62 -42.09 2 1 1 17 323.287 4
Hi High (pH 8-9.5) 5.94 10.64 -2.82 1 1 0 12 322.279 4

Activity (Go SEA)

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