UCSF

ZINC24986498

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 30 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) 1.81 6.54 -43.69 4 8 1 101 432.932 5
Hi High (pH 8-9.5) 1.81 6.07 -16.29 3 8 0 99 431.924 5
Mid Mid (pH 6-8) 1.81 7.33 -55.15 4 8 1 104 432.932 5

Activity (Go SEA)

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