UCSF

ZINC70613241

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) 2.89 7.34 -103.01 3 2 2 21 214.397 4
Hi High (pH 8-9.5) 2.89 6.04 -35.18 2 2 1 20 213.389 4
Mid Mid (pH 6-8) 2.89 6.33 -29.11 2 2 1 16 213.389 4

Activity (Go SEA)

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