UCSF

ZINC44685406

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 1.68 3.31 -52.23 4 5 1 68 287.387 4
Hi High (pH 8-9.5) 1.68 2.41 -7.49 3 5 0 64 286.379 4
Mid Mid (pH 6-8) 1.68 4.76 -40.37 4 5 1 65 287.387 4

Activity (Go SEA)

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