UCSF

ZINC15306746

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 33 No

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) -1.02 4.93 -35.48 4 10 0 153 453.451 5
Hi High (pH 8-9.5) -1.02 5.83 -65.36 3 10 -1 156 452.443 5
Mid Mid (pH 6-8) -1.02 3.78 -55.53 3 10 -1 148 452.443 5

Activity (Go SEA)

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