UCSF

ZINC49863702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 28 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) 4.17 9.55 -10.4 2 6 0 80 416.934 8
Hi High (pH 8-9.5) 4.17 9.21 -43.23 1 6 -1 78 415.926 8

Activity (Go SEA)

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