UCSF

ZINC34566756

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.05 4.38 -48.79 3 3 1 55 230.335 3
Hi High (pH 8-9.5) 1.05 6.26 -44.33 3 3 1 54 230.335 3

Activity (Go SEA)

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