UCSF

ZINC12765812

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 23 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) 4.19 9.31 -19.62 1 6 0 88 351.815 3
Hi High (pH 8-9.5) 4.26 8.44 -43.13 0 6 -1 94 350.807 3

Activity (Go SEA)

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