UCSF

ZINC20521573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 0.44 -2.21 -44.38 5 4 1 71 223.296 2
Hi High (pH 8-9.5) 0.44 0.48 -30.98 4 4 0 74 222.288 2
Mid Mid (pH 6-8) 0.44 0.01 -108.47 6 4 2 73 224.304 2

Activity (Go SEA)

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