UCSF

ZINC15352994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2008 31 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) 4.64 6.67 -15.73 2 7 0 94 460.939 8
Hi High (pH 8-9.5) 4.64 6.76 -50.02 1 7 -1 96 459.931 8

Activity (Go SEA)

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