UCSF

ZINC43395644

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.51 3.3 -99.13 4 4 2 54 223.32 2
Hi High (pH 8-9.5) 0.51 2.47 -5.04 2 4 0 51 221.304 2
Hi High (pH 8-9.5) 0.51 2.9 -26.01 3 4 1 53 222.312 2
Mid Mid (pH 6-8) 0.51 2.88 -47.57 3 4 1 53 222.312 2

Activity (Go SEA)

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