UCSF

ZINC34674620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 17 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) 2.94 8.35 -36.52 1 3 1 37 233.335 6
Hi High (pH 8-9.5) 2.94 6.36 -8.31 0 3 0 36 232.327 6

Activity (Go SEA)

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