UCSF

ZINC36829079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 20 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) -0.86 1.72 -23.02 1 7 0 91 299.352 3
Hi High (pH 8-9.5) -0.40 -0.34 -55.61 0 7 -1 94 298.344 3

Activity (Go SEA)

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