UCSF

ZINC37851974

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.10 0.91 -40.43 3 4 1 55 204.29 10
Hi High (pH 8-9.5) -0.10 -0.47 -6.31 2 4 0 51 203.282 10

Activity (Go SEA)

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