UCSF

ZINC20601169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 30 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) 3.36 9.72 -49.18 3 6 1 72 406.485 7
Hi High (pH 8-9.5) 3.36 9.09 -13.94 2 6 0 68 405.477 7

Activity (Go SEA)

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