UCSF

ZINC37998080

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 0.97 4.53 -50.85 2 5 1 68 263.317 6
Hi High (pH 8-9.5) 0.97 3.11 -10.3 1 5 0 64 262.309 6

Activity (Go SEA)

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