UCSF

ZINC16666712

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 26 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) 6.14 10.91 -8.17 1 4 0 50 402.306 2
Hi High (pH 8-9.5) 6.60 9.17 -42.53 0 4 -1 53 401.298 2

Activity (Go SEA)

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