UCSF

ZINC36788651

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.09 5.22 -133.19 4 3 2 41 288.382 8
Mid Mid (pH 6-8) 3.09 4.8 -45.65 3 3 1 40 287.374 8
Mid Mid (pH 6-8) 3.09 6.29 -31.23 3 3 1 40 287.374 8

Activity (Go SEA)

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