UCSF

ZINC37825216

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 2.00 8.3 -90.41 3 4 2 41 271.449 8
Hi High (pH 8-9.5) 2.00 7.06 -37.03 2 4 1 37 270.441 8

Activity (Go SEA)

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