UCSF

ZINC70614258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) 2.41 6.42 -99.56 4 2 2 32 214.397 4
Hi High (pH 8-9.5) 2.41 4.89 -39.46 3 2 1 31 213.389 4
Mid Mid (pH 6-8) 2.41 6.09 -30.88 3 2 1 30 213.389 4

Activity (Go SEA)

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