UCSF

ZINC00985830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 30 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) 4.23 7.14 -9.38 3 6 0 97 400.482 5
Mid Mid (pH 6-8) 4.23 6.46 -8.82 3 6 0 97 400.482 5

Activity (Go SEA)

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