UCSF

ZINC37981427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) -0.95 -2.78 -49.9 5 8 1 127 335.431 5
Hi High (pH 8-9.5) -0.50 -6.93 -47.03 3 8 -1 128 333.415 5
Mid Mid (pH 6-8) -0.50 -4.73 -65.48 4 8 0 130 334.423 5

Activity (Go SEA)

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