UCSF

ZINC35167722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 29 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) 6.25 13.18 -13.2 0 4 0 36 406.913 8
Lo Low (pH 4.5-6) 6.25 13.68 -36.99 1 4 1 38 407.921 8

Activity (Go SEA)

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