UCSF

ZINC70257742

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 17 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) 1.89 6.76 -100.14 4 3 2 45 235.375 2
Hi High (pH 8-9.5) 1.89 6.3 -23.59 3 3 1 43 234.367 2
Hi High (pH 8-9.5) 1.89 5.96 -4.04 2 3 0 42 233.359 2
Mid Mid (pH 6-8) 1.89 6.28 -47.46 3 3 1 44 234.367 2

Activity (Go SEA)

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