UCSF

ZINC35733665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 12 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) 0.85 4.57 -100.66 4 2 2 32 170.3 3
Hi High (pH 8-9.5) 0.85 4.2 -29.36 3 2 1 30 169.292 3
Mid Mid (pH 6-8) 0.85 2.16 -42.73 3 2 1 31 169.292 3

Activity (Go SEA)

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