UCSF

ZINC45696481

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 14 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) 0.39 4.64 -108.47 3 4 2 45 199.298 6
Hi High (pH 8-9.5) 0.39 2.96 -7.19 1 4 0 39 197.282 6
Mid Mid (pH 6-8) 0.39 4.19 -43.78 2 4 1 44 198.29 6

Activity (Go SEA)

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