UCSF

ZINC27229188

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 25 No

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) 6.74 10.85 -37.02 0 3 -1 44 388.299 4
Mid Mid (pH 6-8) 6.74 11.6 -10.19 1 3 0 42 389.307 4

Activity (Go SEA)

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