UCSF

ZINC45685392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.22 4.08 -49.07 3 4 1 63 224.28 7
Hi High (pH 8-9.5) 1.22 2.72 -7.12 2 4 0 59 223.272 7

Activity (Go SEA)

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