UCSF

ZINC33944442

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 0.50 2.92 -34.97 2 4 1 43 204.29 3
Hi High (pH 8-9.5) 0.50 0.49 -4.76 1 4 0 42 203.282 3

Activity (Go SEA)

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