UCSF

ZINC45187270

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 25 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) 2.19 3.68 -125.95 8 6 2 113 358.571 16
Hi High (pH 8-9.5) 2.19 3.03 -13.22 6 6 0 110 356.555 16
Mid Mid (pH 6-8) 2.19 3.37 -50.15 7 6 1 112 357.563 16

Activity (Go SEA)

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