UCSF

ZINC45230977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 32 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) 5.17 13.39 -100 2 4 2 17 466.617 8
Hi High (pH 8-9.5) 5.17 8.63 -5.93 0 4 0 15 464.601 8
Mid Mid (pH 6-8) 5.17 11.12 -38.4 1 4 1 16 465.609 8

Activity (Go SEA)

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