UCSF

ZINC22975316

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 26 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) 3.41 7.37 -20.15 2 7 0 93 376.482 9
Hi High (pH 8-9.5) 3.23 6.31 -49.22 1 7 -1 100 375.474 9

Activity (Go SEA)

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