UCSF

ZINC01667635

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 21 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) 4.19 11.73 -40.68 1 2 1 22 280.391 4
Hi High (pH 8-9.5) 4.19 9.57 -7.9 0 2 0 20 279.383 4

Activity (Go SEA)

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