UCSF

ZINC36782090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.64 -1.04 -42.93 4 6 1 78 257.358 5
Hi High (pH 8-9.5) -0.64 -2.39 -8.71 3 6 0 73 256.35 5

Activity (Go SEA)

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