UCSF

ZINC37855447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -2.11 -2.03 -47.62 3 6 1 70 246.331 6
Hi High (pH 8-9.5) -2.11 -3.48 -12.08 2 6 0 65 245.323 6
Mid Mid (pH 6-8) -2.11 0.28 -111.57 4 6 2 71 247.339 6

Activity (Go SEA)

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