UCSF

ZINC21539894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 27 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) 2.30 10.59 -49.44 2 7 1 69 369.493 8
Hi High (pH 8-9.5) 2.30 8.37 -19.09 1 7 0 68 368.485 8

Activity (Go SEA)

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