UCSF

ZINC36777342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.83 4.83 -113.75 4 3 2 45 221.348 3
Hi High (pH 8-9.5) 0.83 2.88 -37.98 3 3 1 44 220.34 3
Hi High (pH 8-9.5) 0.83 4.52 -31.65 3 3 1 43 220.34 3
Mid Mid (pH 6-8) 0.83 3.59 -89.64 4 3 2 45 221.348 3

Activity (Go SEA)

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