UCSF

ZINC38644115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 9 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) 0.11 0.21 -127.07 6 2 2 55 132.251 4
Mid Mid (pH 6-8) 0.11 -0.15 -37.86 5 2 1 54 131.243 4

Activity (Go SEA)

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