UCSF

ZINC34981365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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 8.16 -42.04 1 3 1 31 248.346 4
Hi High (pH 8-9.5) 2.94 6.27 -8.87 0 3 0 30 247.338 4

Activity (Go SEA)

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