UCSF

ZINC37995128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 No

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) 1.31 9.42 -35.13 1 5 0 65 377.304 8
Hi High (pH 8-9.5) 1.31 7.75 -51.8 0 5 -1 64 376.296 8

Activity (Go SEA)

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