UCSF

ZINC22978170

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 5.42 8.78 -14.09 1 6 0 75 437.443 8
Hi High (pH 8-9.5) 5.88 7.67 -48.3 0 6 -1 78 436.435 8

Activity (Go SEA)

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