UCSF

ZINC61654976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2011 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) 2.34 5.64 -77.96 3 4 2 28 300.535 8
Hi High (pH 8-9.5) 2.34 3.15 -32.67 2 4 1 26 299.527 8
Mid Mid (pH 6-8) 2.34 7.95 -168.11 4 4 3 29 301.543 8

Activity (Go SEA)

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