UCSF

ZINC35892991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 5.52 13.88 -40.24 1 5 1 37 456.724 6
Lo Low (pH 4.5-6) 5.52 16.13 -128.62 2 5 2 38 457.732 6

Activity (Go SEA)

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