UCSF

ZINC08483957

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 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) 4.09 9.28 -22.34 2 9 0 126 413.459 8
Hi High (pH 8-9.5) 4.09 9.12 -46.32 1 9 -1 124 412.451 8

Activity (Go SEA)

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