UCSF

ZINC66078340

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 23 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) 3.10 10.23 -103.02 3 4 2 30 323.525 12
Hi High (pH 8-9.5) 3.10 9.07 -34.41 2 4 1 32 322.517 12
Mid Mid (pH 6-8) 3.10 8.45 -39.31 2 4 1 29 322.517 12

Activity (Go SEA)

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