UCSF

ZINC70614282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 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) 3.00 8.63 -113.18 3 2 2 21 228.424 6
Hi High (pH 8-9.5) 3.00 7.43 -31.69 2 2 1 16 227.416 6
Mid Mid (pH 6-8) 3.00 6.55 -36.92 2 2 1 20 227.416 6

Activity (Go SEA)

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