UCSF

ZINC34986828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.40 9.59 -36.43 1 1 1 4 220.311 2
Hi High (pH 8-9.5) 3.40 7.2 -2.9 0 1 0 3 219.303 2

Activity (Go SEA)

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