UCSF

ZINC00947857

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 29 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) 4.64 12.13 -17.64 1 7 0 97 405.435 6
Hi High (pH 8-9.5) 4.83 9.6 -42.46 0 7 -1 103 404.427 6

Activity (Go SEA)

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