UCSF

ZINC62509770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.53 -0.05 -7.91 1 5 0 59 222.31 4
Hi High (pH 8-9.5) 0.53 -0.4 -39.88 0 5 -1 61 221.302 4

Activity (Go SEA)

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