UCSF

ZINC14952096

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 41 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) -1.02 3.41 -85.23 8 12 0 204 569.659 15
Mid Mid (pH 6-8) -1.02 3.05 -56.34 7 12 -1 203 568.651 15

Activity (Go SEA)

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