UCSF

ZINC22925587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 25 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) 4.28 10.28 -33.91 2 3 1 26 335.471 7
Hi High (pH 8-9.5) 4.28 7.53 -5.31 1 3 0 24 334.463 7

Activity (Go SEA)

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