UCSF

ZINC37118331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 18 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) 2.98 9.25 -115.51 3 2 2 21 248.414 8
Hi High (pH 8-9.5) 2.98 6.48 -0.99 1 2 0 15 246.398 8
Hi High (pH 8-9.5) 2.98 7.88 -30.21 2 2 1 16 247.406 8
Mid Mid (pH 6-8) 2.98 7.82 -36.83 2 2 1 20 247.406 8

Activity (Go SEA)

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