UCSF

ZINC38523266

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 12 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) 2.64 5.38 -6.38 1 2 0 40 176.606 0
Hi High (pH 8-9.5) 2.64 4.96 -29.26 0 2 -1 38 175.598 0

Activity (Go SEA)

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