UCSF

ZINC36235854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.30 3.09 -45.19 3 5 1 68 261.301 3
Hi High (pH 8-9.5) 1.30 1.63 -8.01 2 5 0 63 260.293 3

Activity (Go SEA)

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