UCSF

ZINC34937095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.31 3.92 -37.93 3 4 1 59 225.312 6
Hi High (pH 8-9.5) 1.31 2.9 -7.49 2 4 0 54 224.304 6

Activity (Go SEA)

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