UCSF

ZINC44685208

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.07 7.3 -38.11 2 2 1 20 257.401 3
Hi High (pH 8-9.5) 2.07 6.37 -2.5 1 2 0 15 256.393 3
Mid Mid (pH 6-8) 2.07 8.76 -32.54 2 2 1 16 257.401 3

Activity (Go SEA)

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