UCSF

ZINC27980798

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 40 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) 8.02 20.67 -215.36 8 4 4 66 554.952 27
Hi High (pH 8-9.5) 8.02 19.3 -149.83 7 4 3 62 553.944 27

Activity (Go SEA)

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