UCSF

ZINC34938313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) -0.16 0.53 -40.06 3 4 1 55 204.29 7
Hi High (pH 8-9.5) -0.16 -0.83 -6.99 2 4 0 51 203.282 7

Activity (Go SEA)

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