UCSF

ZINC37141017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.17 7.27 -31.22 3 3 1 37 354.312 5
Hi High (pH 8-9.5) 3.17 6.54 -36.59 2 3 0 43 353.304 5
Mid Mid (pH 6-8) 3.17 5.83 -37.27 3 3 1 40 354.312 5

Activity (Go SEA)

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